Theoretical Conformational Analysis of Cyclic Organophosphorus and Organosilicon Compounds

Abstract

The structure of some six- and eight-membered phosphorus and silicon heterocycles was established by the method of dipole moments and density functional theory calculations. There are two necessary conditions for the feasibility of the transannular interaction in these heterocycles: (1) the favorable disposition of the donor and acceptor centers in a molecule and (2) the presence of the substituents with the considerable polarizing effect at the heteroatom.

Keywords:

• Density functional theory
• dipole moments
• organophosphorus compounds
• organosilicon compounds
• transannular interaction

Acknowledgments

This work was supported by Russian Foundation for Basic Research (grants 10-03-00098 and 10-03-08211).