Dipole moments, structure, and transannular interactions in silatranes containing planar fragments

Abstract

The method of dipole moments and theoretical calculations (DFT B3LYP/6-31G*) were used for structural assessment of silatranes N[CH2(RMeC6H2)O]3SiR1 containing planar fragments in the six-membered semirings. They are endo structures with transannular N→Si interaction which involves, along with nitrogen and silicon, oxygen atoms adjacent to silicon. © 2008 MAIK Nauka.