Search

Crystal surfaces play a pivotal role in governing various significant processes, such as adsorption, nucleation, wetting, friction, and wear. A fundamental property that influences these processes is the surface free energy, γ. We have directly calculated γ(T) for low-index faces of Lennard-Jones (LJ), germanium, and silicon crystals along their sublimation lines using the computational cleavage technique. Our calculations agree well with experimental values for Si(111) and Ge(111), highlighting the accuracy of the method and models used. For LJ crystals, we identified a premelting onset at Tpm = 0.75Tm, marked by a sharp increase in atom mobility within the second outermost surface layer. Notably, Tpm closely aligned with the endpoint of the LJ melting line at negative pressures, Tend = 0.76Tm. We hypothesize that the emergence and coexistence of a liquid film atop the LJ crystal at Tpm < T < Tm correspond to the metastable melting line under negative pressures experienced by stretched crystal surfaces. Furthermore, our study of thin LJ crystal slabs reveals that premelting-induced failure leads to recrystallization below the homogeneous freezing limit, offering a promising avenue to explore crystal nucleation and growth at extremely deep supercoolings. Finally, no evidence of premelting was detected in the model crystals of Ge and Si, which is consistent with the experimental observations. Overall, our findings offer valuable insights into crystal surface phenomena at the atomic scale. [ABSTRACT FROM AUTHOR]

Cost-effective, versatile, and rapid deposition of single-crystal metal films is crucial to a wide spectrum of applications ranging from catalysis, plasmonics, electrochemistry, and optoelectronics to templating, epitaxial substrates, and integrated nanomanufacturing. High crystal quality typically implies low growth rates, which makes it challenging to achieve thicknesses in excess of 1 µm with conventional approaches. We show facile close-space sublimation of epitaxial single-crystal Au, Ag, and Cu films on MgO substrates. We demonstrate 10 μm thickness in less than 1 h while maintaining sub-5 nm rms surface roughness for a range of low- and high-index crystal film orientations. We show that the results can be captured by a simple model based on "line-of-sight" sublimation, which serves as a predictive tool and provides a basis to discuss broader potential as well as the limitations of this approach. [ABSTRACT FROM AUTHOR]

Isostructural crystals are crucial for the development of high-performance functional materials and precise control over physicochemical properties, whereas the design of isostructural crystals is extremely challenging. In this work single-component isostructural crystals were obtained with the substitution of side-chain groups. High-quality single crystals of isostructural crystals methyl 2-amino-5-methylbenzoate (MAMB) and methyl 2-amino-5-methoxybenzoate (MAMOB) were harvested through sublimation crystallization. Their crystal structures were determined by single-crystal X-ray diffraction (SCXRD). Similar intermolecular interactions and packing modes suggested that MAMB and MAMOB are 3D isostructural, and the quantitative similarity parameters were calculated via the XPac program. Furthermore, these two obtained isostructural crystals exhibited similar blue light emission behaviors and solvation effects. [ABSTRACT FROM AUTHOR]

Modifications of complexes by attachment of anchor groups are widely used to control molecule-surface interactions. This is of importance for the fabrication of (catalytically active) hybrid systems, viz. of surface immobilized molecular catalysts. In this study, the complex fac-Re(S-Sbpy)(CO)3Cl (S-Sbpy = 3,3′-disulfide-2,2′-bipyridine), a sulfurated derivative of the prominent Re(bpy)(CO)3Cl class of CO2 reduction catalysts, was deposited onto the clean Ag(001) surface at room temperature. The complex is thermostable upon sublimation as supported by infrared absorption and nuclear magnetic resonance spectroscopy. Its anchoring process has been analyzed using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The growth behavior was directly contrasted to the one of the parent complex fac-Re(bpy)(CO)3Cl (bpy = 2,2′-bipyridine). The sulfurated complex nucleates as single molecule at different surface sites and at molecule clusters. In contrast, for the parent complex nucleation only occurs in clusters of several molecules at specifically oriented surface steps. While this shows that surface immobilization of the sulfurated complex is more efficient as compared to the parent, symmetry analysis of the STM topographic data supported by DFT calculations indicates that more than 90% of the complexes adsorb in a geometric configuration very similar to the one of the parent complex. Thiolate groups are promising anchors to immobilize catalysts, particularly on coinage metal surfaces, but the anchor group's impact on the local adsorption configuration of the catalyst is often overlooked. Here, the authors study a sulfurated derivative of the prominent Re(bpy)(CO)3Cl carbon dioxide reduction catalysts on a Ag(001) surface at room temperature. [ABSTRACT FROM AUTHOR]

The possibilities of comparing computational results of noncovalent interactions with experimental data are discussed, first with respect to intramolecular interactions. For these a variety of experimental data such as heats of formation, crystal sublimation heats, comparison with energy minimized structures, and spectroscopic data are available, but until now largely have not found widespread application. Early force field and QM/MP2 calculations have already shown that the sublimation heats of hydrocarbons can be predicted with an accuracy of ±1%. Intermolecular interactions in solution or the gas phase are always accompanied by difficult to compute entropic contributions, like all associations between molecules. Experimentally observed T∆S values contribute 10% to 80% of the total ∆G, depending on interaction mechanisms within the complexes, such as, e.g., hydrogen bonding and ion pairing. Free energies ∆G derived from equilibrium measurements in solution allow us to define binding increments ∆∆G, which are additive and transferable to a variety of supramolecular complexes. Data from more than 90 equilibrium measurements of porphyrin receptors in water indicate that small alkanes do not bind to the hydrophobic flat surfaces within a measuring limit of ∆G = ±0.5 kJ/mol, and that 20 functions bearing heteroatoms show associations by dispersive interactions with up to ∆G = 8 kJ/mol, roughly as a function of their polarizability. Aromatic systems display size-dependent affinities ∆G as a linear function of the number of π-electrons. [ABSTRACT FROM AUTHOR]

Dimethyl fumarate (DMF) is an FDA-approved drug for treating relapsing-remitting multiple sclerosis; but it is susceptible to sublimation leading to its loss during processing. Cocrystals can protect against thermal energy via the interaction of DMF with a coformer via weak forces of interaction. With this hypothesis, we have, for the first time, prepared DMF cocrystals using the solvent evaporation method using coformers like citric acid and succinic acid screened by in-silico predictions and hydrogen bonding properties. Analysis using infra-red (IR), powder x-ray diffraction (PXRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and sublimation evaluation characterized cocrystals and their thermostability. Comparative analysis of the release profile has been done by dissolution and pharmacokinetic study of DMF and its cocrystals. The cocrystals have improved thermal stability and better pharmacological activities than DMF. In the safety and efficacy evaluation of the formulated cocrystals, they were found to be non-cytotoxic, antioxidant, and inhibiting IL-6 and TNF-α in PBMC induced by lipopolysaccharide (LPS). We have obtained cocrystals of DMF with improved thermal stability and better pharmacological activities than DMF. [Display omitted] • DMF cocrystals have been prepared using the slow evaporation method. • DMF cocrystals are more thermostable than DMF and less prone to sublimation. • DMF cocrystals have similar pharmacokinetics as DMF. • DMF cocrystals have better pharmacological activities than DMF. [ABSTRACT FROM AUTHOR]

The construction of a low power silicon evaporation source for thin film deposition applications is proposed in this article. A few differently shaped tungsten filaments were mounted inside a quartz glass crucible, which assured an effective heating of silicon wafer pieces. The sublimation process was monitored at filament powers in the range of 8–22 W, which corresponds to temperatures far below the melting point of Si. The operation of the evaporation source requires only the use of a low voltage power supply. All considered models of evaporation sources are characterized by an easy construction. The measurements carried out with the use of a quartz crystal microbalance sensor enabled to determine the deposition rate at different filament powers for all constructed Si sources and confirm the long-term stability of the silicon flux. The experimental data exhibit the Polany–Wigner dependence of the deposition rate as a function of inverse of power at higher filament powers. Auger electron spectroscopy was used to monitor the deposition of Si on Ag(100) under constant silicon flux. The Auger signal recorded from Si and Ag reflects the growth of subsequent silicon layers. This enabled the determination of the Frank–van der Merwe growth mode of Si on Ag(100) at early stages of growth, the formation time of one Si monolayer, and, thus, the deposition rate. The presented designs of the Si source exhibit long time stable evaporation fully controlled by the applied filament power, which is crucial in the precise adsorption of ultrathin Si layers. [ABSTRACT FROM AUTHOR]

Uranium hexafluoride (UF6) is a commonly utilized material feedstock in uranium enrichment processes due to its high vapor pressure and ease of sublimation. When exposed to air, UF6 undergoes spontaneous hydrolysis to form uranyl fluoride (UO2F2) particulates which are utilized for the detection of undeclared nuclear activities by nuclear safeguards organizations. The kinetics of the hydrolysis reaction and how they relate to particle morphology of the product are still debated in the literature. Here, we report the direct, in situ observation of UF6 reaction intermediates by cooling the reaction to cryogenic temperatures to significantly reduce the rate of hydrolysis. The reaction is then observable by Fourier transform infrared (FTIR) spectroscopy. The conversion of UF6 to UOF4 is observed as well as several other bands associated with possible long lived intermediate complexes. Chemometrics are used to further elucidate the reaction pathway from UF6 to UO2F2. [ABSTRACT FROM AUTHOR]

Measurement of heat transfer coefficients (K v) is an important part of freeze-dryers characterization and as well a necessary step for executing any modelling. In most cases only an average value of K v is calculated, or an average value of center and edge vials is provided. Our aim is to go a step further and to describe the overall K v distribution various vial/ freeze drier combinations, whatever the pressure. From an experimental point of view, in this article we propose three methods to calculate the K v value for individual vials based on the ice sublimation gravimetric method. The first method we use is the most usual one, where the K v value is calculated based on the mass of sublimated ice and the product temperature measured in selected vias. In the second method, the average product temperature is estimated for each vial, based on the mass difference before and after sublimation and the K v value is calculated accordingly. In the third method, the K v is estimated by comparison to sublimation results from a simulation. Results from methods 2 and 3 are very similar results and are slightly different from those of method 1. Method 1 was shown to exhibit a systematic bias due to the fact that it is based on the temperature of recording of selected vials only, which are not representative for all positions. Once the individual values of K v have been calculated, it is possible to establish a distribution for each method. It was observed that an overlay of two normal distributions describing the center and the edge vials provides a good representation of the empirical distribution. Furthermore, we propose a holistic model aiming to calculate the K v distribution for any specified pressure. [ABSTRACT FROM AUTHOR]

Derivatives of quinoline are widely utilized in both industries and in healthcare. To understand the quinolines' quality and stability in usage, it is crucial to study their phase transition chemical thermodynamic characteristics. In this work, the phase transition thermodynamic characters of 2-methylquinoline (quinaldine), 2-chloroquinoline, and 2-phenylquinoline were investigated. Moreover, the sublimation/vaporization enthalpy of the compounds were determined the solution calorimetry-additivity scheme approach at 298.15 K. The solution calorimetry was applied to measure solution enthalpies of the compounds in benzene solvent at 298.15 K. While, the solvation enthalpy of the compounds were calculated additivity scheme approach. In addition, the transpiration method applied to estimate vapor pressure to temperature dependency to 2-Chloroquinoline. In consequence, the vapor pressure values with respect to temperature variation was determined to 2-Chloroquinoline compound for the first time. As a result, the phase transition chemical thermodynamic properties; enthalpy, entropy, and Gibbs energy for 2-methylquinoline, 2-chloroquinoline and 2-phenylquinoline were determined from crystalline/liquid to gas phase. Furthermore, in this work the thermochemical characteristics values of the studied compounds exhibited higher accuracy to those in literature data. Finally, the phase transition thermodynamically studied on 2-position of the quinoline compound, where it substituted to methyl, chloro and phenyl groups. [ABSTRACT FROM AUTHOR]

To investigate the impact of advanced microphysics schemes using single and double moment (WSM6/WDM6) schemes, numerical simulations are conducted using Weather Research and Forecasting (WRF) model for a severe mesoscale convective system (MCS) formed over the Korean Peninsula. Spatial rainfall distribution and pattern correlation linked with the convective system are improved in the WDM6 simulation. During the developing stage of the system, the distribution of total hydrometeors is larger in WDM6 compared to WSM6. Along with the mixing ratio of hydrometeors (cloud, rain, graupel, snow, and ice), the number concentration of cloud and rainwater are also predictable in WDM6. To understand the differences in the vertical representation of cloud hydrometeors between the schemes, rain number concentration (Nr) from WSM6 is also computed using particle density to compare with the Nr readily available in WDM6. Varied vertical distribution and large differences in rain number concentration and rain particle mass is evident between the schemes. Inclusion of the number concentration of rain and cloud, CCN, along with the mixing ratio of different hydrometers has improved the storm morphology in WDM6. Furthermore, the latent heating (LH) profiles of six major phase transformation processes (condensation, evaporation, freezing, melting, deposition, and sublimation) are also computed from microphysical production terms to deeply study the storm vertical structure. The main differences in condensation and evaporation terms are evident between the simulations due to the varied treatment of warm rain processes and the inclusion of CCN activation in WDM6. To investigate cloud–aerosol interactions, numerical simulation is conducted by increasing the CCN (aerosol) concentration in WDM6, which simulated comparatively improved pattern correlation for rainfall simulation along with intense hydrometer distribution. It can be inferred that the change in aerosol increased the LH of evaporation and freezing and affected the warming and cooling processes, cloud vertical distribution, and subsequent rainfall. Relatively, the WDM6 simulated latent heating profile distribution is more consistent with the ERA5 computed moisture source and sink terms due to the improved formulation of warm rain processes. [ABSTRACT FROM AUTHOR]

The solution enthalpies of tetra-methyl- and tetra-butyl-ammonium tetrafluoroborates were measured using solution calorimetry. The sublimation enthalpies and vaporization enthalpies of ammonium-based ionic liquids with the anions [BF4] and [NO3] were derived from temperature dependencies of the vapour pressures, measured with a quartz crystal microbalance and adjusted to the reference temperature 298.15 K. The solution calorimetry results were used to derive the solid-phase enthalpies of formation of the compounds studied. The latter results were combined with the sublimation enthalpies to obtain the experimental gas-phase formation enthalpies of the ionic liquid containing [BF4] and [NO3] anions. The theoretical gas-phase formation enthalpies were calculated using the quantum chemical method G3MP2 and agree well with the experimental results. Different types of structure–property relationships were used to establish the consistency of the alkyl-ammonium-based ionic liquids studied in this work. [ABSTRACT FROM AUTHOR]

The article discusses a group contribution (GC) method used to calculate the partition coefficients of organic molecules. The GC method assumes that certain aspects of chemical groups are consistent across different molecules. The authors of the article criticize previous publications by Naef and Acree for overlooking relevant research and not providing a rebuttal. They also compare Naef and Acree's results on the octanol-water partition coefficient to previous studies and highlight the limitations of their method. The authors suggest that Naef and Acree's claims of unmatched versatility are not supported by the literature. [Extracted from the article]

The enthalpies of formation in the gaseous phase of methyl 3-methylanthranilate and methyl 5-methylanthranilate were determined from experimental measurements of the corresponding standard energies of combustion, obtained from combustion calorimetry, and the standard enthalpies of vaporization and sublimation, obtained from Calvet microcalorimetry and Knudsen mass-loss effusion. A computational study, using the G3(MP2)//B3LYP composite method, has also been performed for the calculation of the gas-phase standard enthalpies of formation of those two molecules at T = 298.15 K, as well as for the remaining isomers, methyl 4-methylanthranilate and methyl 6-methylanthranilate. The results have been used to evaluate and analyze the energetic effect of the methyl substituent in different positions of the ring. [ABSTRACT FROM AUTHOR]

This experimental and computational study on the energetic properties of 2-methyl-, 3-methyl-, 4-methoxy- and 5-methoxy-indanones has been carried out using mostly calorimetric techniques and a suitable computational approach. The combustion and sublimation/vaporization enthalpies were determined via combustion calorimetry and Calvet microcalorimetry, respectively, allowing for the calculation of the standard molar enthalpies of formation in the gaseous phase. The enthalpy of sublimation of 5-methoxy-indanone was also derived via Knudsen effusion. Additionally, the gas-phase standard molar enthalpies of formation of these compounds were determined from high-level ab initio calculations at the G3(MP2)//B3LYP level of theory. The results obtained experimentally and through the computational approach are in good agreement. Thus, the gas-phase enthalpy of formation of 2-methylcyclopentanone was estimated with this approach. Moreover, the energetic effects associated with the presence of a methyl and methoxy group on the indanone core were analyzed, using the experimental values reported in this work. The presence of a methoxy group contributes to a decrease in the gas-phase enthalpy of formation, of about 153 kJ·mol−1, whereas in the case of a methyl group, the corresponding value is c.a. 35 kJ·mol−1. Finally, a quantitative analysis of the effects of delocalization of the electron density on the methyl-indanones was performed, using NBO calculations at the B3LYP/6-311+G(2df,2p) wave function. [ABSTRACT FROM AUTHOR]

The suggestion that the paper by Naef and Acree is the first one with the capability to treat "any molecule under the sun" is simply totally incorrect. In Ref. [[7]] (Neaf and Acree), reference to GC methods are only the previous publications by Naef and Acree. 10.3390/molecules25051147 7 Naef R., Acree W.E. Jr. Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K. References 1 Naef R., Acree W.E. Jr. Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules. [Extracted from the article]

Solid–fluid phase equilibria are difficult to predict in simulations because bound degrees of freedom in the crystal phase must be converted to free translations and rotations in the fluid phase. Here, we avoid the solid-to-fluid transformation step by starting with chemical potentials for two reference systems, one for the fluid phase and one for the solid phase. For the solid, we start from the Einstein crystal and transform to the fully interacting molecular crystal. For the fluid phase, we introduce a new reference system, the "centroid," and then transform to gas phase molecules. We illustrate the new calculations by predicting the sublimation vapor pressure of succinic acid in the temperature range of 300 K–350 K. [ABSTRACT FROM AUTHOR]

We have established an apparatus for terahertz and mid-infrared spectroscopy in an ultrahigh vacuum and have measured absorption spectra of D2O clusters trapped in solid Ar. To assign terahertz absorption peaks due to the D2O dimer, trimer, and tetramer, the dependence of the spectrum on the annealing temperature and D2O dilution was analyzed. The assignment was also examined by ab initio calculations with the use of the "our own N-layered integrated molecular orbital and molecular mechanics" method, where the flexibility of surrounding Ar atoms was systematically incorporated. We identified all the intermolecular fundamentals of the dimer and those with significant intensities of the trimer and tetramer, whose structural symmetries were revealed to be broken down. After isolating the D2O clusters in solid Ar, we sublimated only Ar atoms to leave behind matrix-sublimation ice, which was found to be amorphous- or crystal-like depending on the formation conditions: the dilution and sublimation temperature. The crystallinity of matrix-sublimation ice was determined by decomposing its terahertz spectrum into the spectra of amorphous and crystalline ices. Since the crystallinity got higher by raising the dilution and sublimation temperature, the diffusion of the D2O monomer on the surface of sublimating solid Ar was found to be crucial to the crystallization of the sublimation ice. [ABSTRACT FROM AUTHOR]

Activated carbon-supported HgCl2 catalysts have seriously impeded the development of the polyvinyl chloride (PVC) industry due to the sublimation of Hg species and environmental pollution problems. Herein, the template-free and organic solvent-free strategy was devised to synthesize non-metallic based nitrogen-doped carbon (U-NC) sphere catalyst for acetylene hydrochlorination. This green strategy via ultrasonic chemistry initiates resin crosslinking reactions between aminophenol and formaldehyde resin by free radicals, leading to the ultra-rapid formation of U-NC with remarkably high pyrrolic N content in only 5 min. This U-NC catalyst exhibited an outstanding space-time-yield (1.6 gVCM·gcat−1·h−1), even comparable to the reported metallic catalyst. By combining kinetic analysis, advanced characterizations, and density functional theory, it is found that the amount of pyrrolic N is in linear with C2H2 conversion, and pyrrolic N in U-NC can effectively improve acetylene hydrochlorination performance by mediating HCl adsorption. This work sheds new light on rationally constructing metal-free catalyst for acetylene hydrochlorination. [ABSTRACT FROM AUTHOR]

Only two 4-halo-1H-pyrazole crystal structures are known to date (chloro and bromo, the structure of 4-iodo-1H-pyrazole has not been reported yet). The triclinic structure of 4-fluoro-1H-pyrazole, C3H3FN2 (P1), reported here is not isomorphous with those of the chloro and bromo analogues (which are isomorphous, orthorhombic Pnma). To avoid sublimation during the measurement, diffraction data were collected at 150 K. Two crystallographically unique 4-fluoro-1H-pyrazole moieties linked by an N-H...N hydrogen bond are found in the asymmetric unit. Unlike the trimeric supramolecular motifs found in the structures of the chloro and bromo analogues, 4-fluoro-1H-pyrazole forms onedimensional chains by intermolecular hydrogen bonding in the crystal. [ABSTRACT FROM AUTHOR]

This paper describes technological processes developed for less studied ZnTe thin films prepared by close space sublimation method, without an additional transport agent gas, for controlling their structural and optical properties. The enhanced oxygen incorporation depends on the source–substrate growth conditions. ZnTe thin films fabricated in the source-substrate temperature interval mentioned here crystallize in a cubic zincblende structure preferentially oriented along the [111] reflection plane. As the source temperature increases, the energy dispersive X-ray spectroscopy shows that the tellurium content increases, while the oxygen decreases. The values of the optical band gaps vary in interval from 2.21 eV up to 2.22 eV with variation of the source temperature, while variation of the substrate temperature leads to the band gap value decrease from 2.24 to 2.14 eV. The photoluminescence spectra of the ZnTe:O thin films are dominated by the red emission bands localized at 1.73 eV and 1.82 eV. This study will serve as a basis for future efforts to develop intermediate-band solar cells with improved conversion efficiency. [ABSTRACT FROM AUTHOR]

Heavily doped 3C-SiC films based on semi-insulating 6H-SiC substrates were obtained by sublimation epitaxy. The structural perfection of the obtained samples was monitored by X-ray diffractometry. The measurements of the photoluminescence and Hall effect spectra have confirmed the rather high perfection of the obtained epitaxial layers. [ABSTRACT FROM AUTHOR]

When considering the extraction of metals from lunar regolith for use in space, one reductive method of interest is vacuum thermal dissociation. Given the high vacuum environment on the Moon, the sub-liquidus operation of such a process, i.e., sublimation, warrants investigation. In the current work, the kinetics of the vacuum sublimation of the more volatile major oxides found in the lunar regolith, Na2O, K2O, and FeO, are evaluated. Two distinct factors are accounted for in the current work: the change in the evaporation flux due to temperature; and the reduction in available surface area for evaporation due to sintering of the feedstock. Surface area change due to the sintering of compressed LMS-1 regolith simulant pellets was quantified via a Brunauer–Emmett–Teller analysis. The surface area of the samples was measured to vary from 3.29 m2/g in the unsintered sample, to 1.04 m2/g in the samples sintered at 800 °C, and down to 0.09 m2/g in the sample sintered at 1150 °C. Evaporation flux was calculated using the Hertz–Knudsen–Langmuir equation using saturated vapor pressures predicted from the FactSage thermochemical package and verified against Knudsen Effusion Mass Spectroscopy data from tests conducted on lunar regolith sample #12022. The combination of these studies resulted in the conclusion that no local maxima in evaporation rate below the melting point was found for the current system, as such the highest rate of sublimation was determined to be 1200 °C for all species, at temperatures of 1200 °C and above, partial melting of the material occurs. The predicted maximum rate of sublimation for the species Fe, Na, and K at 1200 °C was 0.08, 1.38, and 1.02 g/h/g of regolith, respectively. It is noted that significant variation was seen between FactSage predictions of saturated vapor pressures and the measured values. Future work generating detailed thermochemical databases to predict the behavior of complex systems similar in composition to lunar regolith would benefit the accuracy of similar kinetic studies in the future. [ABSTRACT FROM AUTHOR]

The aim of this paper is to study the IR spectra of thin films of a mixture of carbon dioxide and water obtained via vapor deposition in the temperature range of 11-180 K. Based on the analysis of the spectra, we examine the formation of hydrates and clathrates that are of interest to modern condensed matter physics. To carry out this research, the methods of IR spectroscopy, mass spectroscopy, and optical analysis of the thin films formed were utilized. Fourier transform infrared spectroscopy is one of the most reliable methods for the identification of the molecular composition and structural states of molecular mixtures. Additional tools, such as mass spectroscopy and interference patterns, were used to confirm the formation of specific structures in the carbon dioxide and water mixture. During the experiments, CO2 hydrate and gas hydrate structures formed in the mixture. The gas hydrates that formed in the mixture can be classified as sI-type hydrates. The hydrate compounds hold CO2 molecules in their structures, preventing them from sublimating at 93 K (the sublimation temperature of unbound CO2 at a pressure of P = 0.5µTorr). At the same time, the sublimation temperature of CO2 molecules bound in hydrate structures becomes equal to 147-150 K. For the selected concentration of CO2 (25%) - H2O (75%), the changes in the observed spectra and the data obtained using mass spectroscopy indicate incomplete hydration of the mixture. Some of the CO2 molecules remain unbound and sublimate earlier. The increase in the refractive index as the concentration of H2O in the mixture approaches 25% indicates the growth of structures that are denser compared to amorphous CO2 condensates and amorphous H2O ice. The results expand the current knowledge of the clathrate and hydrate formation processes in mixtures of CO2 and H2O, their physical characteristics, and the emergence of certain characteristics depending on the method of formation. [ABSTRACT FROM AUTHOR]

In this work, dewetting process has been investigated in shape-memory Heuslers. To this aim, series of high-temperature annealing (1100–1150 K) have been performed at high vacuum (time is varied in the range of 55–165 min) in Ni-Mn-Ga epitaxial thin films grown on MgO(001). The process kinetics have been followed by studying the evolution of morphology and composition. In particular, we report the initiation of the dewetting process by the formation of symmetric holes in the films. The holes propagate and integrate, leaving micrometric and submicron islands of the material, increasing the average roughness of the films by a factor of up to around 30. The dewetting process is accompanied by severe Ga and Mn sublimation, and Ni-Ga segregation, which significantly modify the magnetic properties of the films measured at each stage. The annealed samples show a relatively weak magnetic signal at room temperature with respect to the pristine sample. [ABSTRACT FROM AUTHOR]

Cross-section preparation of painting micro-samples is part of their routine analysis. This type of preparation can be used for several analytical techniques, such as scanning electron microscopy, Fourier-transform infrared spectroscopy, Raman spectroscopy, and optical microscopy. These techniques offer high-resolution imaging and/or elemental information, providing access to technical and material data important for the interpretation, preservation, and restoration of painted artworks. However, it also means that the material from the sample embedded in the resin becomes unreachable for further analysis, except for the polished surface of the cross-section. Degradation of the embedding medium can also occur over time, which can lead to misinterpretation, loss of information, or even complete destruction of the embedded sample. In the field of cultural heritage, cyclododecane (CDD) is commonly used for the consolidation and protection of objects, and is used in the preparation of cross-sections to prevent contamination of the sample by the embedding medium. This study enhanced the existing preparation process by shaping the CDD layer to enable extraction of the micro-sample from the resin if needed, without compromising the integrity of the sample. Moreover, the purity, the sublimation rate in a normal environment and a vacuum, and the impact of CDD on three different types of samples (historical painting on a canvas, wall painting fragment, model sample) were examined. [ABSTRACT FROM AUTHOR]

The saturated vapor pressure of the antifungal drug griseofulvin depending on temperature was measured by the transpiration method. The standard molar enthalpy of sublimation of the studied compound calculated from these data is (141.8 ± 1.2) kJ mol−1. Using thermogravimetric techniques, the vaporization enthalpy of drug was determined and the enthalpy of sublimation at reference temperature was calculated. It is shown that the values of this thermodynamic function derived by both these methods are equal within the experimental uncertainty. The space clusterization approach was applied for the estimation of thermodynamic sublimation functions of griseofulvin and structurally related compounds. In addition, the fusion temperature, enthalpy of fusion and heat capacity of the drug were measured by DSC. [ABSTRACT FROM AUTHOR]

Objective: A common issue of freeze drying is the inhomogeneity between samples, both in regards to water content and structure. The purpose of this study is to address this issue, and try to understand the cause of inhomogeneity in the heat transfer and sample temperature. Methods: The temperature and the heat transfer was measured using different setups, both with and without vial holders at various positions at different shelf temperature and chamber pressures. By comparing sublimation rate measurements (water sample) with temperature equilibrium measurements with a non-evaporating liquid (oil sample), the heat transfer contribution from radiation and conduction could be separated and investigated individually. Results: The oil sample temperature increases each time the pressure is decreased; the increase is highest at lower shelf temperatures. Using vial holder reduces the deviation between the samples but have limited effect on the temperature increase. The sublimation rate for water sample is pressure dependent and samples close to the walls have a higher sublimation rate than vials in the center. The sublimation rate increases slightly when using a vial holder but the deviation between vials becomes more random. Conclusions: The heat transfer consists of conduction through rectified vapor and radiation from surrounding walls, about 65–75% of the heat is transferred by conduction and 25–35% by radiation under normal operational conditions. As the vial holder is also influenced by the radiation, the vial inside the holder is indirectly affected by the surrounding radiation. [ABSTRACT FROM AUTHOR]

The discovery of chirality-induced spin selectivity (CISS), resulting from an interaction between the electron spin and handedness of chiral molecules, has sparked interest in surface-adsorbed chiral molecules due to potential applications in spintronics, enantioseparation, and enantioselective chemical or biological processes. We study the deposition of chiral heptahelicene by sublimation under ultra-high vacuum onto bare Cu(111), Co bilayer nanoislands on Cu(111), and Fe bilayers on W(110) by low-temperature spin-polarized scanning tunneling microscopy/spectroscopy (STM/STS). In all cases, the molecules remain intact and adsorb with the proximal phenanthrene group aligned parallel to the surface. Three degenerate in-plane orientations on Cu(111) and Co(111), reflecting substrate symmetry, and only two on Fe(110), i.e., fewer than symmetry permits, indicate a specific adsorption site for each substrate. Heptahelicene physisorbs on Cu(111) but chemisorbs on Co(111) and Fe(110) bilayers, which nevertheless remain for the sub-monolayer coverage ferromagnetic and magnetized out-of-plane. We are able to determine the handedness of individual molecules chemisorbed on Fe(110) and Co(111), as previously reported for less reactive Cu(111). The demonstrated deposition control and STM/STS imaging capabilities for heptahelicene on Co/Cu(111) and Fe/W(110) substrate systems lay the foundation for studying CISS in ultra-high vacuum and on the microscopic level of single molecules in controlled atomic configurations. [ABSTRACT FROM AUTHOR]

• Thermochemical methods allowed the study of two arylguanidines. • Combustion calorimetry was used to obtain formation enthalpies of arylguanidines. • Phase transitions were studied with DSC, and thermogravimetry. • The energetic-structural relationships for arylguanidines are presented. In the present work some thermochemical properties of 1,3-diphenylguanidine and 1,3-di- o -tolylguanidine were determined experimentally. To achieve this goal, differential scanning calorimetry was used to obtain purities, temperatures of fusion, enthalpies of fusion, entropies of fusion and heat capacities of the crystal phase as a function of temperature. Using thermogravimetry, the loss rate mass was measured for the crystal phase, and by applying the Langmuir equation the vapor pressure was estimated as a function of temperature, the enthalpy of sublimation was calculated by means of the Clausius-Clapeyron equation. Additionally, the entropy of sublimation and the Gibbs energy of sublimation were derived. With combustion calorimetry in a static bomb, the massic combustion energy was obtained and the standard molar enthalpy of formation in the crystal phase was determined. By combining the enthalpy of formation in the crystal phase and the enthalpy of sublimation, the standard molar enthalpy of formation in the gaseous phase was obtained for two arylguanidines. With the experimental data, the energetic effect due to the presence of two methyl groups in 1,3-di- o -diphenylguanidine was analyzed. [ABSTRACT FROM AUTHOR]

Abraham model L solute descriptors have been determined for 149 additional C11 to C42 monomethylated and polymethylated alkanes based on published Kovat's retention indices based upon gas–liquid chromatographic measurements. The calculated solute descriptors, in combination with previously published Abraham model correlations, can be used to predict a number of very important chemical and thermodynamic properties including partition coefficients, molar solubility ratios, gas–liquid chromatographic and HPLC retention data, infinite dilution activity coefficients, molar enthalpies of solvation, standard molar vaporization and sublimation at 298 K, vapor pressures, and limiting diffusion coefficients. The predictive computations are illustrated by estimating both the standard molar enthalpies of sublimation and the enthalpies of solvation in benzene for the monomethylated and polymethylated alkanes considered in the current study. [ABSTRACT FROM AUTHOR]

Freeze-drying frozen maltodextrin solutions with solid contents of 5% and 30% (w/w) was experimentally investigated using neutron imaging at PSI Villigen/Switzerland. Different solid contents, as well as annealing at −5 °C for 11 h, were used to modify the porous structure of the samples, which was quantified using X-ray computed tomography. Annealing of the 5% (w/w) sample, with a pore size distribution (PSD) of 23.7 ± 11.1 µm, yielded a very open pore space with high porosity (ε = 0.96) and a PSD of 33.0 ± 27.0 µm. In contrast, the higher solid content resulted in small, lamellar, narrow pores with high anisotropy and a porosity of ε = 0.65, as well as a PSD of 13.5 ± 4 µm. In operando neutron imaging was used to show the impact of the structure of frozen maltodextrin on the overall drying kinetics and shape of the sublimation front during freeze-drying. For this purpose, a freeze-drying stage was employed, which allowed a novel approach to time- and space-resolved monitoring of the ice phase. The sublimation front propagation was quantitatively analyzed based on ice saturation profiles and sublimation rates. The dependence of drying velocity on structure is nicely demonstrated by the data. In addition, it is shown that the sublimation front widened during freeze-drying, resulting in either rather concave or convex shape depending on morphological parameters. [ABSTRACT FROM AUTHOR]

Transition metal single‐atom catalysts (SACs) are of immense interest, but how exactly they are evolved upon pyrolysis of the corresponding precursors remains unclear as transition metal ions in the complex precursor undergo a series of morphological changes accompanied with changes in oxidation state as a result of the interactions with the carbon support. Herein, the authors record the complete evolution process of Co SAC during the pyrolysis a Co/Zn‐containing zeolitic imidazolate framework. Aberration‐corrected environmental TEM coupled with in‐situ EELS is used for direct visualization of the evolution process at 200–1000 °C. Dissolution of carbon into the nanoparticles of Co is found to be key to modulating the wetting behavior of nanoparticles on the carbon support; melting of Co nanoparticles and their motion within the zeolitic architecture leads to the etching of the framework structure, yielding porous C/N support onto which Co‐single atoms reside. This uniquely structured Co SAC is found to be effective for the oxidation of a series of aromatic alkanes to produce selective ketones among other possible products. The carbon dissolution and melting/sublimation‐driven structural dynamics of transition metal revealed here will expand the methodology in synthesizing SACs and other high‐temperature processes. [ABSTRACT FROM AUTHOR]

Drying is the earliest technique of food preservation which inhibits enzymatic activity and microbial growth in food with extended shelflife without altering the quality. Among all the drying techniques, freeze drying has emerged as one of the most crucial procedures for the preservation of food. Freeze-drying, often referred to as lyophilization is a method to remove water from a substance in the form of ice through a vacuum system called sublimation. The principles of freeze-drying are covered in this review, along with the principle & application in food preservation and current research works related to freeze-drying procedures. It is feasible to draw certain inferences about the benefits and drawbacks of freeze-drying foods and to get a sense of how things could be developed in the future by assessing the sufficient data represent in the manuscript. [ABSTRACT FROM AUTHOR]

Vapor pressure data and evaporation/sublimation rate of liquid and solid samples are key parameters for designing new process units in terms of design, operability, and safety. In addition, for the case of hazardous materials, health and environmental aspects become essential. Conventional methods for obtaining these data mostly require significant material, time, and energy. Thermal analysis methods including differential scanning calorimetry (DSC) and thermogravimetry (TG) can both offer a platform for studying transition behavior of liquids/solids to the vapor phase. Yet, there are limitations, operational considerations, and analysis precautions to be accounted for in order to obtain highly valuable data. In particular, specific cautions should be taken for the case of liquid mixtures. Therefore, it is essential that the fundamentals and underlying principles of using DSC and TG methods for vapor pressure data generation are comprehensively understood so that one can effectively tune the methods according to the specific nature of the study. The dynamic nature of these methods develops a quasi-equilibrium state, where one should attempt to optimize the conditions as such that the temperature program effect becomes negligible on the initial condition of the sample. In this work, an integrative approach is followed to discuss the fundamentals and operational aspects of using DSC and TG for generating accurate vaporization and vapor pressure data of liquid samples. Specific attention is dedicated to elaborate on optimizing not only the experimental conditions to achieve isothermal boiling, but also data analysis step. Therefore, different considerations regarding post-run analysis are discussed. Moreover, due to the high importance of hydrocarbons, specific attention is also given to the application of these two methods to obtain vapor pressure data of hydrocarbons. The constructive discussions in this work develop an overview of the fundamentals of the method, provide the most significant contributions to the topic in a unifying manner, and suggest inputs and highlight the limitations of the techniques for future studies. [ABSTRACT FROM AUTHOR]

The representation of snow processes in forest growth models is necessary to accurately predict the hydrological cycle in boreal ecosystems and the isotopic signature of soil water extracted by trees, photosynthates and tree-ring cellulose. Yet, most process-based models do not include a snow module; consequently, their simulations may be biased in cold environments. Here, we modified the MAIDENiso model to incorporate a new snow module that simulates snow accumulation, melting and sublimation, as well as thermal exchanges driving freezing and thawing of the snow and the soil. We tested these implementations in two sites in eastern and western Canada for black spruce (Picea mariana (Mill.) B.S.P.) and white spruce (Picea glauca (Moench) Voss) forests, respectively. The new snow module improves the skills of the model to predict components of the hydrological cycle. The MAIDENiso model is now able to reproduce the spring discharge peak and to simulate stable oxygen isotopes in tree-ring cellulose more realistically than in the original snow-free version of the model. The new implementation also results in simulations with a higher contribution from the source water on the oxygen isotopic composition of the simulated cellulose, leading to more accurate estimates of cellulose isotopic composition. Future work may include the development of inverse modelling with this new version of MAIDENiso to produce robust reconstructions of the hydrological cycle and isotope processes in cold environments. [ABSTRACT FROM AUTHOR]

In this article, we present a fab-compatible metal–organic chemical vapor deposition growth process, realized in a hydrogen ambience, of two-dimensional (2D) layered GaSe on 200 mm diameter Si(111) wafers. Atomic scale characterization reveals initial stages of growth consisting of passivation of the H–Si (111) surface by a half-monolayer of GaSe, followed by nucleation of 2D-GaSe from the screw dislocations located at the step edges of the substrate. We, thus, demonstrate that by using a Si wafer that is slightly misoriented toward [ 1 ̄ 1 ̄ 2 ] , the crystallographic orientation of 2D-GaSe can be step-edge-guided. It results in a coalesced layer that is nearly free from antiphase boundaries. In addition, we propose a sequential process to reduce the density of screw dislocations. This process consists in a subsequent regrowth after partial sublimation of the initially grown GaSe film. The local band bending in GaSe near the antiphase boundaries measured by Kelvin probe force microscopy emphasizes the electrical activity of these defects and the usefulness of having a nearly single-orientation film. Such a low defectivity layer opens up the way toward large-scale integration of 2D-optical transceivers in Si CMOS technology. [ABSTRACT FROM AUTHOR]

Background: Tragacanth, a natural gum, is frequently used as stabilizer for colloidal systems and as a binder in tablets. Materials from natural sources are in increasing demand to solve the current global environmental problems arising from synthesis involving petroleum-based substances. Objectives: In this context, we improved functionality of tragacanth through crosslinking and extended its application for directly compressed fast dissolving systems. Fast dissolving formulations upon settling on the tongue disintegrate promptly and release the medicament, thus making it especially suitable for paediatrics, geriatrics, bedbound, or incapacitated patients. Materials and Methods: Cross-linked tragacanth (CLT) was explored as a potent disintegrant and compared with sodium starch glycolate and Crospovidone for its effect on compressibility and release of metoclopramide hydrochloride from tablets made by direct compression and sublimation method. Formulations made using CLT were optimized for swelling capacity, absorption efficiency, and moisture sorption capacity. Results: The most appropriate controls for linkage of tragacanth were 1:0.4 proportion of tragacanth: Epichlorohydrin, at 105°C temperature for 45 min of reaction. Prepared formulations showed desired disintegration and wetting time. Formulations made using camphor showed porosity because of sublimation and favored rapid disintegration. Based on the drug release study, it is confirmed that formulation with 4% CLT and 20% camphor prepared by sublimation process exhibited highest drug release, i. e. 99.23% within 15 min. Conclusion: This study demonstrates the novel applicability of tragacanth as an effective natural superdisintegrant after cross-linking and provides a sustainable alternative to synthetic superdisintegrants while formulating the fast-disintegrating tablets. [ABSTRACT FROM AUTHOR]

Spherical particle formation degrades the performance of castor-oil-derived thixotropic additives, which are widely used to a dripping preventing agent in automobile paints and household waste oil treatment agent. Double-chain-type diamide is a heat-resistant thixotropic additive that causes nanofibrosis; its entanglement and gelation embracing solvent molecules—originating from the abundant intermolecular hydrogen bonds—and easy forming/rupturing tendency result in spherical particle formation, which can be confirmed by the temperature and time of reserve heating. Diamides with two hydrocarbons that have undergone thermal treatment leading to spheroidization were found exhibit significantly different sublimation/pyrolysis temperature, melting temperature, and crystal orientation than non-treated diamides. By comparing with the change observed under more extreme heating conditions, it can be considered that the amide bond site would increase the bond length and suppress the degree of freedom of rotation just before bond cleavage. In this state, verification of the origin of spherical particle formation by using the Langmuir-Blodgett method revealed that anisotropic suppression of hydrogen bonding occurs. In addition, it was found that spheroidization can be suppressed by adding a growth aid when preheating is conducted under a certain condition. [ABSTRACT FROM AUTHOR]

We have studied macroparticle generation from a tungsten carbide cathode used in a dc vacuum arc discharge. Despite a relatively high decomposition/melting point (~3100 K), there is an intensive generation of visible particles with sizes in the range 20-35 lm. Visual observations during the discharge and scanning electron microscopy of the cathode surface and of collected macroparticles indicate a new mechanism for particle formation and acceleration. Based on the W-C phase diagram, there is an intensive sublimation of carbon from the melt resulting from the cathode spot. The sublimation supports the formation of a sphere, which is accelerated upon an explosion initiated by Joule heating at the critical contact area between the sphere and the cathode body. The explosive nature of the particle acceleration is confirmed by surface features resembling the remains of a splash on the droplet surface. [ABSTRACT FROM AUTHOR]

A kinetic Monte Carlo approach is developed for studying growth and evaporation of nanoparticles on/off nanotubes. This study has been motivated by the recent experimental advances in using nanoparticle evaporation (sublimation) off nanoparticle-decorated nanotubes for nanoscale "thermometry." We demonstrate that the considered kinetic Monte Carlo approach can reproduce features of the process that are not included in the phenomenological thermodynamic modeling, as well as provide snapshots of the growth and evaporation process morphology. [ABSTRACT FROM AUTHOR]

Natural seeder‐feeder processes play an essential role in the formation and enhancement of precipitation. However, the cloud‐seeding process from mixed‐phase clouds is still not well understood due to the lack of sufficient observations. Natural seeder‐feeder processes from mixed‐phase clouds (seeder clouds) to lower‐lying liquid clouds (feeder clouds) were observed on 19 occasions using ground‐based polarization lidar and radiosonde measurements from June 2018 to June 2020 at a mid‐latitude plain observatory in Wuhan (30.5°N, 114.4°E), China. Ice crystals originating from seeder clouds fell into feeder clouds located 0.2–2.2 km below. During the sedimentation between seeder and feeder clouds, ice crystals partly underwent sublimation when passing through the in‐between dry air layers. The feeder clouds inhibited those ice crystals from complete sublimation and grew them larger by riming or vapor deposition from a favorable liquid water supply. Subsequently, ice crystals were observed afresh falling from feeder clouds, forming ice virgae descending toward the surface. Owing to cloud seeding, feeder clouds with cloud‐top temperatures (CTTs) as warm as −0.2°C to −14.5°C could produce ice virgae, although these CTTs are generally considered somewhat insufficient to initiate primary ice nucleation. The observed optically thin feeder clouds prolonged the survival time/distance of falling ice crystals, indicating that denser feeder clouds may induce enhanced precipitation. Key Points: Natural seeder‐feeder processes from mixed‐phase clouds to lower‐lying liquid clouds were observed at a mid‐latitude plain site in WuhanFeeder clouds inhibited ice crystals from complete sublimation and grew them larger by supplying favorable liquid waterOwing to cloud seeding, feeder clouds with top temperatures as warm as −0.2 to −14.5°C produced ice virgae [ABSTRACT FROM AUTHOR]

The thermal properties and an opportunity for photovoltaic applications were studied for a series of transition metal complexes derived on functionalized o‐aminophenols ‐ mixed‐valent CoIII compounds and bis‐o‐iminobenzosemiquinonato NiII complexes. TGA and DSC explored the thermal behavior of compounds in the solid state. EI‐MS established the vapor phase composition. The temperature dependences of a saturated vapor pressure were measured by the Knudsen effusion method with the weight registration of the sublimated substance. Based on the volatility study data, the thermodynamic parameters of a sublimation process were calculated. A high absorptivity distinguishes metal complexes under investigation at visible and NIR regions (i. e., vis/NIR dyes) and, thus, were tested as photosensitizers in the fabricated dye‐sensitized solar cells. The photoelectric conversion efficiency (PCE) was estimated for devices with the NiII derivatives. The CoIII complexes demonstrated the absence of photovoltaic potential. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) cobalt zeolitic imidazolate frameworks (ZIF-67) have attracted significant research interests to synthesize cobalt and nitrogen co-doped carbon-based (Coâ€"Nâ€"C) catalyst for oxygen reduction reaction (ORR). However, most of the current synthetic approaches of 2D ZIF-67 are energy-intensive, environmentally hazardous and low-yield. Herein, a feasible and efficient ‘morphology-retaining method via a high-pressure vapor-solid reaction’ are reported to synthesize 2D ZIF-67 nanosheets by using 2D cobalt carbonate hydroxide template. In the strategy, the high-pressure vapor caused by sublimation of 2-Melm and the pores formed from effusion of CO2 during transformation ensure the complete transformation from 2D template to 2D ZIF-67. The corresponding 2D Coâ€"Nâ€"C catalyst exhibits comparable ORR electrocatalytic activity and better stability than Pt/C in alkaline media. The present method is expected to offer a feasible and universal way to efficiently synthesize 2D Mâ€"Nâ€"C catalysts. [ABSTRACT FROM AUTHOR]

The successful topochemical polymerization of bis(selenocyanatomethyl)butadyine 1 is achieved upon association in a 1 : 1 co‐crystal with 1,2‐bis(2‐pyridyl)ethylene (2‐bpen) through strong and linear (NC)−Se⋅⋅⋅NPy chalcogen bonding (ChB) interactions, allowing for an appropriate parallel alignment of the diacetylene moieties toward the solid‐state reaction. Co‐crystal 1⋅(2‐bpen) undergoes polymerization upon heating at 100 °C. The reaction progress was monitored by IR, DSC and PXRD. An enhancement of the polymer conductivity by 8 orders of magnitude is observed upon iodine doping. Strikingly, the course of polymerization is accompanied with sublimation of the ChB acceptor molecules 2‐bpen, providing the polymer in a pure form with full recovery of the co‐former, at variance with the usual hydrogen‐bonded co‐crystal strategies toward polydiacetylenes. [ABSTRACT FROM AUTHOR]

To avoid the agglomeration of iron NPs and improve the dispersion of Fe SAs, we employed a mixed-ligand strategy to regulate the iron content in PCN-224(ZnxFey) and PCN-222(ZnxFey). Thanks to the sublimation of Zn and the Kirkendall effect, uniform dispersions of Fe SAs with 1.04–1.06 wt% were obtained in the pyrolysis products Zn0.5Fe0.5–N–C-224 and Zn0.5Fe0.5–N–C-222 with excellent CO2 → CO activity, super-stability, and recyclability. [ABSTRACT FROM AUTHOR]

A comparative study of vacuum versus ambient pressure inert gas thermogravimetry was performed on silver carboxylates compounds. Some of the complexes from this group have been previously successfully applied as precursors for both chemical vapour deposition and electron beam-induced deposition. Considerable differences were found between the thermogravimetry methods, which we associate with changes in evaporation dynamics. Vacuum thermogravimetry sublimation onsets consistently occurred at lower temperatures than ambient pressure N2-flow thermogravimetry, where the differences reached up to 120 °C. Furthermore, compound sublimation during N2-TGA was suppressed to such an extent that significant thermal decomposition of the compounds into metal and volatile organic fragments was observed while at vacuum the same complexes sublimed as intact molecules. Moreover, thermal stability of silver complexes was investigated using isothermal thermogravimetry. These findings are interesting for the field of thin film synthesis and nanomanufacturing via chemical vapour deposition, atomic layer deposition and focused electron beam induced deposition. In all three methods, delivery of functional precursor over the substrate is crucial. The presented results prove that vacuum thermogravimetry can be used as fast method of pre-screening for novel, especially low-volatility precursors. [ABSTRACT FROM AUTHOR]