Quality Control of 2-Methylglutaronitrile. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Methylglutaronitrile, is researched, Molecular C6H8N2, CAS is 4553-62-2, about Insight into polyacrylonitrile molecular structure from calculated vibrational frequencies and infrared intensities of model oligomers. Author is Mathieu, Didier; Defranceschi, Mireille; Lecayon, Gerard; Delhalle, Joseph.
RHF/3-21G vibrational frequencies and intensities are calculated for acrylonitrile dimers (S-2-methylglutaronitrile) and pentamers differing by their conformation and/or configuration to comprehend the influence of these 2 structural characteristics on the IR spectra of polyacrylonitrile chains. The isotactic pentamer tends to adopt a (TG)3 helix while for the syndiotactic configuration, 2 conformations of similar total energy are obtained. On the basis of these structures, it is found that the calculated IR spectra follow the reported exptl. trends. Of particular interest is the theor. verification of the exptl. observation made by M. Minagawa et al. (1988) that the intensity ratio between bands at 1230 and 1250 cm-1 depends on the stereochem. structure of polyacrylonitrile and provides a measure of their isotacticity percentage.
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Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com