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Hydrogel flexible sensors are widely used in wearable devices, health care, intelligent robots and other fields due to their excellent flexibility, biocompatibility and high sensitivity. With the development of single sensor to multi‐channel and multi‐mode sensor network, the sensor data also presents the characteristics of multi‐dimension, complex and massive. Traditional data analysis methods can no longer meet the data analysis requirements of hydrogel flexible sensor networks. The introduction of machine learning (ML) technology optimizes the process of data analysis. With the continuous development of multi‐layer neural network technology and the improvement of computer performance, deep learning (DL) algorithm is increasingly used to achieve higher efficiency and accuracy, provides a powerful tool for data analysis of hydrogel flexible sensor, and accelerates the intelligent process of hydrogel flexible sensor equipment. This paper introduces the classification of hydrogel flexible sensors and the working mechanism and common algorithms of ML, and summarizes the application of ML technology to assist hydrogel flexible sensors in data analysis in the fields of health care and information recognition. This review will provide inspiration and reference for integrating ML technology into the field of hydrogel flexible sensors. [ABSTRACT FROM AUTHOR]

Perovskite solar cells have seen rapid development over the last decade due to their potential to surpass current market‐leading solar cell technologies. Power conversion efficiency values of perovskite solar cells have reached more than 25 %, making them comparable to their market‐leading silicon‐based counterparts with comparatively few years of development. Whilst large‐scale trials are ongoing, the long‐term stability of perovskite materials remains a significant challenge in their deployment. The first successful perovskite‐based solar cells were lead‐based (Pb‐based). Environmental concerns surrounding Pb‐based perovskites are a significant impediment to their application in industry leading to a substantial increase in research into alternatives that are more environmentally sound. The meta‐analysis study presented in this paper intends to harvest efficiency and synthetic method data from the literature to chart the progress of efficiency over the last decade of BOTH Pb‐ and Sn‐based perovskite solar cells. We then use these data to test the hypothesis: "Did the advancements in the development of earlier Pb‐based perovskite solar cells mean the efficiency of Sn‐based alternatives developed at a faster rate?" The meta‐analysis found that materials engineering, i. e. identifying the suitable materials for perovskite, electron and transport layers and the solution and fabrication process contributed significantly to the rapid annual efficiency growth rates in Pb‐based perovskite solar cells (more than 25 %) from 2011 to 2014. More steady annual efficiency growth rates (2 to 7 %) from 2014 to 2021 are attributed to more advanced compositional engineering, such as optimizing bandgap and addressing stability problems, solution and additive engineering with regard thermal annealing, ageing, doping, improving crystallinity and passivating defects. Ultimately, this report states the challenges Sn‐based perovskite materials face and improvements that will have to be made to become successful on a commercial scale. One of our key findings is the increase in efficiency from 5 % in 2014 to 13 % in 2020 of Sn‐based perovskites making them one of the main contenders to replace Pb‐based perovskites. However, significant challenges remain, including reducing their instability and increasing their efficiencies beyond 20 % to make them competitive against their Pb‐based counterparts. [ABSTRACT FROM AUTHOR]

In this paper, we describe the mechanisms behind the oxidative transformation of vivianite and parasymplesite into formerly not recognized materials that could prove to be novel players in, for example, water splitting or alkali metal intercalation reactions. Based on a sophisticated interpretation of hydrogen‐bonded networks, we were able to identify those phases that have erroneously been classified and to present the crystalline end‐members of the corresponding oxidation chains. [ABSTRACT FROM AUTHOR]

The development of efficient oxygen evolution reaction (OER) catalyst is the key to solve the slow reaction kinetics and is of great significance for the conversion and storage of renewable energy. In this paper, bimetallic/carbon nanosheets electrocatalysts were prepared by high temperature carbonization using Hofmann‐type metal‐organic frameworks (MOFs) as precursors. It is worth noting that in this study, the morphology and structure of the catalyst was successfully adjusted by surfactant, and the Co/Fe‐Dpyz@CNC (1000) catalyst obtained has a large specific surface area (316.3 m2/g) and rich exposed active centers. In addition, the coupling effect of Co and Fe bimetal optimizes the electronic structure of the graphite layer and enhances the conductivity of the catalyst. Co/Fe‐Dpyz@CNC (1000) shows excellent OER performance, the overpotential is 318 mV@10 mA cm−2, and the Tafel slope is very small in 1 M KOH, which is 62.8 mV dec−1. The results show that bimetal/carbon nanosheets are potential catalysts for OER. [ABSTRACT FROM AUTHOR]

A novel fluorescent probe L based on benzimidazole derivative for selective CN− detection was designed and synthesized, and its structure was identified by spectral analysis. In DMSO/H2O (v/v=7 : 3, pH=9) solvent system, the fluorescence intensity for L enhances and the color change from yellow to colorless and purple was immediately observed at 426 nm, but there was no obvious color change when other anions instead of CN− was added to the system. The mechanism on CN− recognition was also studied by 1H NMR, IR, MS analysis and theoretical calculations. The probe L for CN− detection exhibited high sensitivity, and the molar ratio and lowest detection limit was 1 : 1 and 8.2×10−7 mol L−1, respectively. In addition, the probe L could be successfully applied to the detection of CN− in bitter almond, and was also used as a test paper, which indicated that the probe L might conveniently carried out the quick identification and detection of cyanide ion in the environment and food samples through its fluorescent color change under UV lamp. [ABSTRACT FROM AUTHOR]

The Front Cover, designed by Michał Rams, Sabine Nick, and Christian Näther, shows a compound schematically, in which metal cations are linked by bridging ligands into chains. Within a chain all spins are ferromagnetically aligned but neighboring chains are antiferromagnetic coupled. Such behavior is present in Ni(NCS)2(4‐methoxypyridine)2 that is the key compound in this paper. The crystal structure and magnetic properties of this compound are described together with some precursors that, upon heating, transform into the chain compound. More details are discussed in the paper by Näther et al. on page 1760 ff. [ABSTRACT FROM AUTHOR]

High Energy Materials (HEMs) is a generic/umbrella term which is used for explosives, propellants & pyrotechnics and form an integral part of almost all weapon systems. A large number of HEMs have been reported in the literature in last few decades. This review paper discusses these HEMs in the light of a new classification of explosives proposed by Agrawal: Thermally stable or Heat‐resistant explosives, High performance (high density & high velocity of detonation) explosives, Melt‐Castable explosives, Insensitive high explosives (IHEs), Energetic binders & plasticizers and Novel energetic materials synthesized with the use of dinitrogen pentoxide (N2O5) technology. This review also critically examines these HEMs from the angles of scalability, processability, safety, reliability and performance in order to ascertain their potential for applications. In the end, problems associated with the use of currently available energetic materials & their likely solutions and areas for further research are also highlighted. [ABSTRACT FROM AUTHOR]

A new process suggested for the selective dissolution of rare earth elements REEs from xenotime concentrate produced after physical beneficiation namely; shaking table and froth flotation were proposed using ammonium sulfate. The suggested procedure was established upon the selectivity of ammonium sulfate as a leaching agent of rare earth element. The Dissolution kinetic analysis of valuable elements of the dissolution process and the suggested reaction mechanism concerning the rare earth and ammonium sulfate has been conferred. The obtained data confirmed that the main leaching suggested mechanism of rare earth was fit chemically controlled and the calculated activation energy was 40.597 kJ/mole. The paper was then concerning to disperse yttrium selectively from the rare earth concentrate via 200 g/L concentration of (NH4)2CO3 within 40 min. dissolution time, dissolution temperature is 70 °C, and S/L ratio is 1/5. [ABSTRACT FROM AUTHOR]

Detonation velocity, detonation pressure, and detonation heat are usually used as a measure of explosive's performance. However, they do not answer the question how fast an explosive can accelerate the surrounding metal liner. A semi‐empirical solution to this problem was proposed by R. W. Gurney in 1943. In this paper we used thermochemical calculations to calculate energy of detonation products along the expansion isentrope and to estimate the Gurney energy and cylinder wall velocity from it. It was found that for the same degree of the products expansion, experimentally determined Gurney energy is systematically less than calculated detonation energy due to the energy losses. At about threefold expansion of the products, the detonation energy matches very well with an experimental Gurney energy. [ABSTRACT FROM AUTHOR]

This paper reports a method for preparing MoP@C synthesized from absorbent cotton. While the influence of the amount of absorbent cotton on its composition and morphology are also explored. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed that MoP@C and unmodified MoP exhibit completely different microscopic morphologies. With the gradual increase in the quality of absorbent cotton, the morphology of catalysts changed from large‐area stacking to hollow rod structure. This hollow structure effectively increases the specific surface area of the catalyst, thus providing more active sites for hydrodechlorination reaction of trichloroethylene, which exhibits relatively excellent catalytic performance in it. The catalytic activity test shows that highest activity value can reach up to 47.18 %, which was twice that of the unmodified MoP. [ABSTRACT FROM AUTHOR]

Octahedral clusters of the [M6X12] type offer numerous possibilities to form structural arrangements through different choices of bonding situations. In this paper a series of new cluster compounds of the transition metal niobium is described, which consist of the [Nb6Cl18]2–, and in one case [Nb6Cl18]3–, anion and protonated N‐base cations ([MIm‐H]+, [nPr3N‐H]+, [TMGu‐H]+, and [Tzn‐H]+). They all are prepared using water scavenger compounds [SOCl2 or (Ac)2O] under oxidising conditions, resulting in two‐electron (or one‐electron, respectively) oxidized cluster units with respect to the starting material [Nb6Cl14(H2O)4]·4H2O. Of five members of this group single‐crystal X‐ray structures were determined. The cluster anions exist in all structures as discrete units. The acidic H atoms of all N‐bases are hydrogen bonded to H acceptors, in 4 cases to outer, exo bonded Cl atoms of the cluster unit and in one case to the O atom of a co‐crystallized THF molecule. In [TMGu‐H]2[Nb6Cl18] chains of cluster anions exist hydrogen‐bonded through bridging [TMGu‐H]+ cations. ESI mass spectra of [MIm‐H]2[Nb6Cl18]·2SOCl2 and [TMGu‐H]2[Nb6Cl18] show the expected isotopic distribution patterns for the anions together with other peaks associated to chloride mass losses and/or reduction processes. [ABSTRACT FROM AUTHOR]

The synthesis and crystal structures of 3,5‐dinitro‐1H‐pyrazolyl‐4‐carboxylic acid (H2dnpzc) and its four complexes with Ca2+, Ba2+, Na+ and K+ are reported in this paper. Ca(dnpzc)·5H2O exhibits a 1D polymeric structure, whereas Ba(dnpzc)·4H2O possesses a 2D structure. The structure of Na2(dnpzc)·4H2O consists of 2D layers of [Na(dnpzc)]–n and 1D chains of [Na(H2O)3]+n. K2(dnpzc)·H2O has a true 3D structure. It was observed that the doubly deprotonated ligand (dnpzc2–) can act as a versatile bridge to form polymeric structures by varying combinations of its 8 potential donor atoms (two carboxy O atoms, two pyrazolyl N atoms and four nitro O atoms). Particularly in the structure of K2(dnpzc)·H2O, all the 8 donor atoms of dnpzc2– take part in the coordination and as many as 10 potassium atoms are connected by one ligand. [ABSTRACT FROM AUTHOR]

Front Cover: Oxygen out, sulfur in: The alkali metal sulfidotungstates K2[WS4] and novel Na2[WS4] - 4 H2O (Z. Anorg. Sulfidotungstates, thiotungstates, alkali metal, crystal structure, spectroscopy Keywords: sulfidotungstates; thiotungstates; alkali metal; crystal structure; spectroscopy EN sulfidotungstates thiotungstates alkali metal crystal structure spectroscopy 1 1 1 12/15/22 20221213 NES 221213 The cover picture shows an illustration of the paper title, in which we displayed the intention to shift our research interests from oxido- to sulfidotungstates. [Extracted from the article]

I ZAAC i is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co-ordination chemistry. The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super-hard materials, electrical superconductors, or intermetallic compounds. Up-to-date physical methods for the characterization of new chemical compounds and materials are also described. [Extracted from the article]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

In this paper we explore an amino functionalized selenolate unit for the synthesis of new multinuclear compounds with promising interesting properties and potential precursors of semiconductors. We present for the first time the X‐ray crystallographic structure of [Hg(SeC6H4NH2)2]2·diox (1·diox) and its copper(I) derivatives: HgCu2X2(SeC6H4NH2)2(PPh3)4·4diox [X = Br (2·4diox) and I (3·4diox)]. The compounds 1 and 2, 3 can be considered as the starting material and intermediates, respectively, for the synthesis of ternary HgII/Se/CuI nanoclusters. We also provide IR and NMR spectroscopic data and evaluate the optical features of these compounds by difuse reflectance UV/Vis spectroscopy. [ABSTRACT FROM AUTHOR]

This paper describes two novel simple methods for assessment of the electric spark sensitivity of cyclic and acyclic nitramines based on the new instrument marked as ESZ KTTV, which gives more reliable results than previous old system marked as RDAD. The first model uses elemental composition and a correcting function that increases the predicted results based on elemental composition. The measurements of the ESZ KTTV and the RDAD instruments revealed that the relationship is not unequivocal. Thus, the second method can convert the reported data based on the RDAD system to the ESZ KTTV instrument. Since most of the available predictive methods are based on the RDAD instrument, the second correlation is used for conversion of the predicted results based on the RDAD to the ESZ KTTV data. For 16 nitramines where both experimental values of the RDAD and the ESZ KTTV instruments were available, the values of root‐mean‐square deviation (RMSD) for the first and second models are 0.0359 and 0.0596 J, respectively. Thus, due to larger uncertainty in the experimental values of the old RDAD system, the reliability of the second model is less than the first one. [ABSTRACT FROM AUTHOR]

This paper gives some examples of the strange relations between mosaics and crystal structures, their respective contributions to the representation and a possible way to create new solid matter. [ABSTRACT FROM AUTHOR]

The paper of Chuvachova et al. contains several deficiencies as well as irritating assumptions and conclusions. Their crucial conclusion on the structural stability of boron carbide under pressure is shown to be disproved by their own experimental results. [ABSTRACT FROM AUTHOR]

RuII compounds have been universally investigated due to their unique physical and chemical properties. In this paper, a new RuII compound based on 2,2'-bipy and Hpmtz [2,2'-bipy = 2,2'-bipyridine, Hpmtz = 5-(2-pyrimidyl)-1H-tetrazole], namely [Ru(2,2'-bipy)2(pmtz)][PF6]·0.5H2O was prepared and characterized by elemental analysis, IR and single-crystal X-ray diffraction. [Ru(2,2'-bipy)2(pmtz)][PF6]·0.5H2O shows a mononuclear structure and forms a three-dimensional network by non-classic hydrogen bonds. The ability of generation of ROS (reactive oxygen species) makes it has a low phototoxicity IC50 (half-maximal inhibitory concentration) after Xenon lamp irradiation on Hela cells in vitro. The results demonstrate that [Ru(2,2'-bipy)2(pmtz)][PF6]·0.5H2O with high light toxicity and low dark toxicity may be a potential candidate for photodynamic therapy. [ABSTRACT FROM AUTHOR]

In this study, Ore granite samples were collected from Gattar site for leashing of yellow cake. The process involves heap leaching of uranium through four main steps; size reduction, leaching, uranium purification, and finally precipitation and filtration. The separation process has been given in details and as flow chart. Gamma spectrometry based on HpGe detector and energy dispersive X-ray (EDX) were used to assay uranium content and activity before and after separation. The uranium weight percentage value as measured by EDX were found tobe 40.5 and 67.5% before and after purification respectively. The results of the calculations based on gamma measurements show high uranium activity and the uranium activity ratios values are 0.045±4.9, 0.043±4.7, and 0.046±2.3%, before purification, whereas these values were found to be 0.050±3.3, 0.049±3.3, and 0.050±2.7%, after purification, respectively. The results are discussed in details in the paper. [ABSTRACT FROM AUTHOR]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

In this paper, the monosubstituted [Fe2(CO)5P(OMe)3{μ-(edt)}] ( 2) and the disubstituted [Fe2(CO)4(P(OMe)3)2{μ-(edt)}] ( 3) complexes we re-synthesized by CO substitution using thermal activation method. In contrast, Darchen and co-workers prepared complexes 2 and 3 by electron transfer catalysis method. The resulting complexes were characterized by different spectroscopic techniques. A detailed electrochemical study of complexes 2 and 3 in the absence and presence of the weak acetic acid, AcOH, was also reported. The structure of complexes 2 and 3 were confirmed by X-ray diffraction analysis. [ABSTRACT FROM AUTHOR]

Tetra-tert-butyl-P5-deltacyclene 5 represents one of only two asymmetric P-C cage compounds, which are available in highly enantiomerically enriched versions. This paper reports about stereoselective substitution reactions of 5 to develop the chemistry of optically active P-C cages further. Electrophilic substitution of the only secondary phosphorus atom P1 of the cage with methyl and benzyl groups was achieved with 92% and _99% de, but the yields of the reactions are limited due to competing processes. The uncatalyzed hydrophosphination reaction of a monosubstituted allene and two α,β-unsaturated carbonyl compounds with 5 proved to be the method of choice. cis- Butanone-P5-deltacyclene 12 is formed in 92% yield and with >99% de and cis-pentanone-P5-deltacyclene 13a is accessible with >99% de for P1 and 92% de for the attached carbon atom at the same time. Besides stereoselectivity, the hydrophosphination reaction of 5 performs with a good regioselectivity. The chiral cage 5 controls the stereoselectivity of its reactions for the cage elements as well as for the α position of a substituent. [ABSTRACT FROM AUTHOR]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry. The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described. [ABSTRACT FROM AUTHOR]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry. The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described. [ABSTRACT FROM AUTHOR]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry. The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described. [ABSTRACT FROM AUTHOR]

The cover picture shows the molecular structure of the mononuclear tricarbonyl nickelate [Ni(CO)3]2– synthesized by dissolving a Zintl phase, a nickel complex and chelating agents in liquid ammonia. The planar anion evinces almost perfect D3h symmetry. The calculated isosurface of the electron localization function (ELF) shows plane basins above and below the molecular plane, where the electrons of the twofold negative charge are evenly distributed. More details are discussed in the paper by Korber et al. on page 1678 ff. [ABSTRACT FROM AUTHOR]

The cover picture shows the mechanism of degradation of formaldehyde using Ce‐CdS‐TiO2 photocatalyst. Introducing the Ce‐CdS‐TiO2 photocatalyst into the HCHO atmosphere, the superoxide radicals and hydroxyl radicals formed by Ce‐CdS‐TiO2 photocatalyst directly act on the HCHO molecule, and degrade the formaldehyde into non‐toxic and harmless substances. More details are discussed in the paper by Tong et al. on page 1570 ff. [ABSTRACT FROM AUTHOR]

The cover picture shows a construction site where BAM‐H2 and Me3Al are mixed to form a road made of Me2AlH and DIPPN(H)AlMe2. The building blocks of the road reorganize themselves to form a bridge that represents the tetra nuclear H– and DIPP(H)N– bridged [(DIPPNH)AlMe2(μ‐H)AlMe2]2 complex (2). The bridge looks solid at first but gets destroyed when it is attacked by the THF‐sharks and falls releasing H2 gas. In the background, new territories arise showing the potential applications and synthetic opportunities that could be reached using the chemistry presented in our paper. More details are discussed in the article by Harmen S. Zijlstra, Alexander Hofmann, and Sjoerd Harder on page 1252 ff. [ABSTRACT FROM AUTHOR]

The productivity of homogeneous catalytic reactions is often described by the yield. This is misleading, and also the TON (turnover number) as well as the TOF (turnover frequency) which better describe it, give no objective informations. These data strongly depend on the substrate to catalyst ratio and also on impurities in the substrate which poison the effective catalyst and reduce the described yield as well as the turnover numbers and the turnover frequencies. In this concept a model is presented, how by changing the amounts of catalyst and the substrate it is possible with several restrictions to calculate the possible maximum for the TON. For the example of trimerization of 1,4‐dimethoxy‐but‐2‐yne to hexakis‐methoxymethyl‐benzene and for tetramerization of propargyl alcohol to 1,3,5,7‐ and 1,3,6,8‐hydroxymethyl‐1,3,5,7‐cyclooctatetraene by previous purification of the substrate or by certain additives as scavengers the access to these compounds is described in detail. By using both methods, extremely high turnover numbers a million were realized. [ABSTRACT FROM AUTHOR]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

This paper is a case study of complete substitution of sodium-metasilicate in zeolite Na-A synthesis by an electrostatic filter ash (FA) arising in high amounts during silane waste incineration process. The silicate abundant FA is a suitable material for reinsertion in zeolite chemistry. This is shown in the presented investigation by the development of a model reaction process at low temperatures (50-60 °C) and short times (1.5-4 h). The experiments were performed under addition of NaAlO2 and variation of the alkalinity and the reaction period. Characterization and fine tuning of the process was mainly done by studying the kinetics of FA digestion and zeolite crystallization by XRD and chemical analyses (ICP-OES) of solutions and solids. It could be shown that pure FA was mostly dissolved (98 %) in 8 M NaOH already after 1 h. Addition of NaAlO2 and crystallization for further 60 min under optimized conditions at 50 °C yielded to a suitable product. It consists of zeolite Na-A (92 % by mass) beside some hydrosodalite (8 % by mass). According to this low temperature short time process this study is a contribution for the development of energy efficient recycling solutions. [ABSTRACT FROM AUTHOR]

In this paper, the syntheses of antimony and nitrogen containing interpnictogen compounds are described. Using tBu2SbCl as reagent, a tert-butyl-substituted stibano amine tBu2SbN(H) tBu ( 1), an isopropyl-substituted interpnictogen tBu2SbN(H) iPr ( 2), and a primary stibano amine tBu2SbNH2 ( 3) are obtained. Condensation of compound 3 leads to compound ( tBu2Sb)2NH ( 4) with elimination of ammonia. All compounds were characterized by 1H, 13C, 15N NMR spectroscopy, mass spectrometry, and IR spectroscopy. These interpnictogens represent a new class of single-source precursors for MOVPE process. The primary amine 3 reacts with AlEt3 and GaEt3 to form previously unknown stibane-substituted [ tBu2SbN(H) MEt2]2 ring compounds [ M = Al ( 5), M = Ga ( 6)], which were characterized by different spectroscopic methods. Moreover, compounds 4 and 6 could be analyzed by X-ray diffraction. [ABSTRACT FROM AUTHOR]

This paper introduces a simple model for prediction of one electron reduction potential [E(RNO2/R•NO2-)] of various nitroaryl compounds. The new method uses energy difference between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) in gas phase at the B3LYP/6-311++G** level (▵ EHOMO-LUMO) and some structural parameters. It was used for 35 nitroaryl compounds including nitrobenzenes, nitrofurans, 2-nitroimidazoles, 4-nitroimidazoles, 5-ninuintidazoles, nitroazaindoles, nitro- acridines, and miscellaneous nitroaryl compounds. The root mean square (rms) percent deviation and the average absolute error of predictions of E(RNO2/R•NO2-) relative to experiment were decreased from 12.4% and 0.42 V to 3.5% and 0.11 V, respectively, upon consideration of several structural parameters. Increment of the value of ▵ EHOMO-LUMO and inclusion of specific polar groups can increase thermodynamic stability of these compounds. [ABSTRACT FROM AUTHOR]

In whatever state of bonding - whether covalent to an organic residue or a heteroatom, or polar to ionic in contact with a metal - the azide moiety N3 is characterized by its high potential of reactivity which essentially manifests itself in two basic processes: the elimination of dinitrogen and the entry into 1, 3-dipolar cycloadditions with suitable dipolarophiles, the latter of which clearly predominates the chemistry of azide, also that of its metal compounds. In a preceding review entitled 'Part I - Metal Azides: Overview, General Trends and Recent Developments' which was meant to lay the foundations for the present paper, these and other reactions have already been touched upon. The present review - Part II - now focusses in great detail on the formation of five-membered heterocycles - tetrazol(at)es, triazol(at)es, triazolin(at)es, thiatriazol(at)es, etc. as well as various consecutive products - from azide and nitriles, isocyanides, alkynes, alkenes and heteroallenes (CS2, RN=C=S) in the ligand sphere of the metal. Generally, these [3+2]-cycloadditions are found to proceed under much milder conditions in comparison with the strictly organic case whose triumphant progress since the 1960s is intimately bound up with the name of Huisgen. Mechanistic considerations on the matter are presented. A secondary aspect still occupying quite a part of the discussion is concerned with the role of metals in [3+2]-cycloadditions particularly of the highly topical 'click'-type, e.g. (CuAAC), (RuAAC). Likewise, a short chapter deals with the question of pentazol(at)e (N5-) which according to numerous theoretical studies could well be stabilized and isolated in combination with metals, e.g., in the form of azametallocenes. A last chapter is devoted to a cursory survey of related systems, in particular fulminato complexes, metall o nitrile ylides and metall o nitrile imines, in which the metal acts as a substituent on the 1, 3-dipole (metall o-1, 3-dipole). Other systems with a metal substituent on the dipolarophile (metall o-dipolarophile), or, with metal itself in the three- (two-) atom arrangement constituting the dipole (dipolarophile) [metall a-1, 3-dipole, metall a-dipolarophile] are only quoted by way of example. [ABSTRACT FROM AUTHOR]

In this paper, two cadmium(II) coordination polymers [Cd(sdb)(bib)] n ( 1) and {[Cd2(pda)2(bib)2] ·0.5H2O} n ( 2) [H2sdb = 4,4′-sulfonyl-dicarboxylic acid, H2pda = 1,3-phenylenediacetic acid, and bib = 1,4-bis(1-imidazolyl) benzene] were synthesized and characterized by hydrothermal methods. Complex 1 displays a 3,5-connected topological net and complex 2 shows a 4-connected non-interpenetrated pcu framework. Furthermore, the luminescent properties for complexes 1 and 2 were investigated. [ABSTRACT FROM AUTHOR]

A clean and efficient process for producing hydrogen using renewable energy sources is an important requirement for a future Hydrogen Economy. The production of hydrogen from water and solar energy is attracting widespread attention. In particular, research is focused on novel materials, or improving existing materials for the splitting of water using photocatalysis and photoelectrolysis. In this paper we highlight several recent developments in photocatalysts and we illustrate how engineering of properties on an atomic scale can be achieved by cation and anion doping, deviations from stoichiometry and in case of ternary or more complex materials, by deviations from molecularity. The defect chemistry of I-III-VI2 ternary semiconductors with the chalcopyrite structure is presented and used to construct a 3D-Brouwer diagram. [ABSTRACT FROM AUTHOR]

This paper describes the synthesis and structural characterization of two new one-dimensional coordination polymers involving 1,3-bis(4-pyridyl)propane ligand named {(μ-NCS)2[Cu(bpp)] ·dmf} n ( 1) and {[Cu(mebpy)(bpp)(dmso)](ClO4)2 ·dmso} n ( 2) (bpp = 1,3-bis(4-pyridyl)propane and mebpy = 4,4'-dimethyl-2,2'-bipyridine). These compounds were characterized by means of elemental analysis, thermal analysis (TG/DTA), vibrational spectroscopy (IR and Raman) and had their structures determined by single-crystal X-ray diffraction analysis. Compound 1 consists of CuN4 coordination spheres with bpp ligands in the unusual GG conformation coordinated in bridges between CuII centers to form a wavelike 1-D coordination polymer. On the other hand, in compound 2 the bpp ligand adopts the TT conformation in bridging mode extending the 1D cationic polymeric chain. [ABSTRACT FROM AUTHOR]

This paper reports the first systemic investigation on the bimetallic ring coordination polymers based on two structure-related flexible bis(imidazole) ligands, bimb as well as bix [bimb = 1, 4-bis(imidazol-1-yl)-butane, bix = 1, 4-bis(imidazol-1-yl-methylene)-benzene)]. As expected, six new cobalt complexes were generated, namely, [Co2(SCN)4(bimb)2] ( 1), [Co2(L1)2(bimb)2Cl2] ( 2), [Co2(L2)4(bix)2] ( 3), [Co(SCN)2(bimb)2] ( 4), {Co[N(CN)2]2(bimb)2} ( 5), and [Co(L3)(bix)] ( 6) (HL1 = 4-aminobenzoic acid, HL2 = 4-nitrobenzoic acid, and H2L3 = succinic acid). The structures of 1- 3 are three discrete dinuclear ring motifs. Especially, 1 is the first example of 1D pseudo-polyrotaxane formed by S ···S strong interactions based on bis(imidazole) ligands. 4 and 5 exhibit 1D meso-helical chain architecture, in spite of their different space groups. In 6, the discrete dinuclear ring motifs, traversed by μ2-η3-chelating L3 anions, are interconnected by another μ2-η1-bridging L3 anions to form 2D (4, 4) network. The formation of these compounds should be undoubtedly attributed to the preference for cis-bis(imidazole) ligands crystallization resulting in various ring architectures. In addition, compound 6 exhibits antiferromagnetic behavior. [ABSTRACT FROM AUTHOR]

Computational chemistry has become an important complement to experimental measurements. In order to choose among the multitude of the existing approximations, it is common to use benchmark data sets, and to issue recommendations based on numbers such as mean absolute errors. We argue, using as an example bandgaps calculated with density functional approximations, that a more careful study of the benchmark data is needed, stressing that the user's requirements play a role in the choice of an appropriate method. We also appeal to those who measure data capable of being used as a reference, to publish error estimates. We show how the latter can affect the judgment of approximations used in computational chemistry. [ABSTRACT FROM AUTHOR]

The conventional heating materials of thermal battery have the disadvantages of low combustion rate and less heat release, so it is necessary to develop new heating materials. Al/Ni Reactive Multilayer Foils (RMFs) is an ideal heat source due to its high heat release, fast burning speed and no gas generated during combustion. Al/Ni RMFs were prepared by magnetron sputtering, and the heat transfer process of thermal battery using Al/Ni RMFs as heating material was simulated by the COMSOL MULTIPHYSICS simulation. The Al/Ni RMFs combustion reaction mechanism with different Al/Ni ratios was proposed according to DSC and XRD results. The effects of Al/Ni atomic ratio of RMFs on the melting time of electrolyte were investigated, and the temperature distribution during the activation was obtained, indicating the rapid activation process of the thermal battery. [ABSTRACT FROM AUTHOR]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co‐ordination chemistry.The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super‐hard materials, electrical superconductors, or intermetallic compounds. Up‐to‐date physical methods for the characterization of new chemical compounds and materials are also described... [Extracted from the article]

The cover picture shows a (distorted) square planar bromide coordination environment about a silver cation. The application of soluble silver salts for halide abstraction is a common preparative routine in organometallic chemistry. If the oxidation power of Ag+ is restricting, respective thallium salt can be an alternative. The paper of Kleinschmidt et al. presents polynuclear ReIII/AgI complexes, in which the contest between both metals for the bromide or even iodide ion remains undecided. Consequently, the cyclobutadiene complexes [(η5‐C5H5)(η4‐C4Ph4)ReX2] (X = Br, I) act as neutral halide ligands for Ag+ leading to molecular complexes. Interestingly, the organometallic scaffold of the Re complex moieties forces a square planar coordination. In addition, reversible rhenacyclopentatriene /η4‐cyclobutadiene rearrangement by successful bromide addition/abstraction is presented for sulfide‐substituted congeners. More details can be found in the article by Steffen Kleinschmidt, Alexander Hinz, Alexander Villinger, and Wolfram W. Seidel on page 1268 ff. [ABSTRACT FROM AUTHOR]

In this paper we explore an amino functionalized selenolate unit for the synthesis of new multinuclear compounds with promising interesting properties and potential precursors of semiconductors. We present for the first time the X‐ray crystallographic structure of [Hg(SeC6H4NH2)2]2·diox (1·diox) and its copper(I) derivatives: HgCu2X2(SeC6H4NH2)2(PPh3)4·4diox [X = Br (2·4diox) and I (3·4diox)]. The compounds 1 and 2, 3 can be considered as the starting material and intermediates, respectively, for the synthesis of ternary HgII/Se/CuI nanoclusters. We also provide IR and NMR spectroscopic data and evaluate the optical features of these compounds by difuse reflectance UV/Vis spectroscopy. [ABSTRACT FROM AUTHOR]