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Acetylene and methylacetylene are impurities commonly found in the raw materials used for the production of polymers such as polypropylene and polyethylene. Experimental evidence indicates that both acetylene and methylacetylene can decrease the productivity of the Ziegler-Natta catalyst and alter the properties of the resulting polymer. However, there is still a lack of understanding regarding the mechanisms through which these substances affect this process. Therefore, elucidating these mechanisms is crucial to develop effective solutions to this problem. In this study, the inhibition mechanisms of the Ziegler-Natta catalyst by acetylene and methylacetylene are presented and compared with the incorporation of the first propylene monomer (chain initiation) to elucidate experimental effects. The Density Functional Theory (DFT) method was used, along with the B3LYP-D3 functional and the 6-311++G(d,p) basis set. The recorded adsorption energies were −11.10, −13.99, and −0.31 kcal mol−1, while the activation energies were 1.53, 2.83, and 28.36 kcal mol−1 for acetylene, methylacetylene, and propylene, respectively. The determined rate constants were 4.68 × 1011, 5.29 × 1011, and 2.3 × 10−8 M−1 s−1 for acetylene, methylacetylene, and propylene, respectively. Based on these values, it is concluded that inhibition reactions are more feasible than propylene insertion only if an ethylene molecule has not been previously adsorbed, as such an event reinforces propylene adsorption. [ABSTRACT FROM AUTHOR]

This review is devoted to the consideration of prospects and directions for the development of methods and approaches to the analysis of high-purity industrial gases and volatile hydrides, chlorides, fluorides, and organoelement compounds with natural and isotopically enriched compositions. The currently known capabilities for the determination of impurities in them using mass spectrometry, IR spectroscopy, gas chromatography, and chromatography–mass spectrometry are analyzed. [ABSTRACT FROM AUTHOR]

In this study, we present a current state-of-the-art review of middle-to-near IR emission spectra of four simple astrophysically relevant molecular radicals—OH, NH, CN and CH. The spectra of these radicals were measured by means of time-resolved Fourier transform infrared spectroscopy in the 700–7500 cm−1 spectral range and with 0.07–0.02 cm−1 spectral resolution. The radicals were generated in a glow discharge of gaseous mixtures in a specially designed discharge cell. The spectra of short-lived radicals published here are of great importance, especially for the detailed knowledge and study of the composition of exoplanetary atmospheres in selected new planets. Today, with the help of the James Webb telescope and upcoming studies with the help of Plato and Ariel satellites, when the investigated spectral area is extended into the infrared spectral range, it means that detailed knowledge of the infrared spectra of not only stable molecules but also the spectra of short-lived radicals or ions, is indispensable. This paper follows a simple structure. Each radical is described in a separate chapter, starting with historical and actual theoretical background, continued by our experimental results and concluded by spectral line lists with assigned notation. [ABSTRACT FROM AUTHOR]

This paper provides a procedure for the simulation of radiances from the U. S. National Oceanic and Atmospheric Administration (NOAA) Cross-track Infrared Sounder (CrIS) Fourier Transform Spectrometer to include spectral ringing effects caused by the finite-band, non-flat instrument spectral response to incident radiation. A simulation using a line-by-line radiative transfer model is performed to illustrate the magnitude of the effect and to indicate which spectral channels are likely to be impacted. Comparisons with CrIS observations are made to show that for most channels this effect is negligibly small compared to errors in the radiative transfer calculations but for the longwave edge of the CrIS longwave band and a few other regions, the brightness temperature ringing is significant. While the ringing artifact described in this paper may appear to be removed when Hamming apodization is applied, as is done for the assimilation of CrIS data into Numerical Weather Prediction (NWP) models, it is still present, and its influence reappears if the spectral correlation induced by apodization is properly handled to preserve the information content that derives from high spectral resolution. Inclusion of the instrument responsivity in calculated spectra to properly mimic the observed spectra as defined here eliminates artifacts from this type of ringing. Users of CrIS radiances should consider whether this effect is important for their application. [ABSTRACT FROM AUTHOR]

The infrared absorption of the ν3 band region of SF6, at temperatures spanning the 130 to 297 K range, has been reexamined using improved instrumentation with one goal: to estimate the broadening of parameters by nitrogen gas. These parameters are compared to previous literature predictions and an extended set of IR cross-sections is proposed and compared to other existing datasets. [ABSTRACT FROM AUTHOR]

Polarisation analysis in the mid-infrared fingerprint region was carried out on thin (∼1 μ m) Si and SiO2 films evaporated via glancing angle deposition (GLAD) method at 70 ∘ to the normal. Synchrotron-based infrared microspectroscopic measurements were carried out on the Infrared Microspectroscopy (IRM) beamline at Australian Synchrotron. Specific absorption bands, particularly Si-O-Si stretching vibration, was found to follow the angular dependence of ∼ cos 2 θ , consistent with the absorption anisotropy. This unexpected anisotropy stems from the enhanced absorption in nano-crevices, which have orientation following the cos 2 θ angular dependence as revealed by Fourier transforming the image of the surface of 3D columnar films and numerical modeling of light field enhancement by sub-wavelength nano-crevices. [ABSTRACT FROM AUTHOR]