Ya. A. Vereshchagina, E. Ishmaeva, A. Gazizova
Mar 1, 2006
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Journal
Russian Journal of General Chemistry
Abstract
Conformational analysis of mono-and bis(dimethoxyphosphoryl)benzenes with substituents in the benzene ring was performed by the method of dipole moments, IR spectroscopy, and quantum-chemical calculations (DFT B3LYP/6-31G*). Comparison of all calculated and experimental data shows that the compounds studied exist as equilibrium mixtures of conformers with preferred gg orientation of the phosphoryl and methoxy groups.