IR SPECTRA AND STRUCTURE OF CHROMENOPYRIDINE CARBONITRILE SYSTEMS
Abstract and keywords
Abstract (English):
IR spectrum of a mixture of amino-imino tautomers such as 5-amino-2,4-diimino-3-(pyridine-2-yl)-2,3,4,10 b-tetrahydro-1H-chromeno[3,4-c]pyridine-1-carbonitrile (I) and 4-amino-2,5-diimino-3-(pyridine-2-yl)-2,3,5,10 b-tetrahydro-1-chromeno[3,4-c]pyridine-1-carbonitrile (II) was interpreted. Density functional theory B3LYP/6-31G (d) method implemented in the GAUSSIAN 03 software package was used for modeling the structures and IR spectra of molecules. Geometrical structure of the tautomers were observed. The IR spectrum was interpreted.

Keywords:
5-amino-2,4-diimino-3-(pyridine-2-yl)-2,3,4,10b-tetrahydro-1H-chromeno[3,4-c]pyridine-1-carbonitrile, 4-amino-2,5-diimino-3-(pyridine-2-yl)-2,3,5,10b-tetrahydro-1-chromeno[3,4-c]pyridine-1-carbonitrile, chromedopyridine carbonitrile systems, geometrical structure, IR spectrum
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