Polarity and structure of silatranes with planar fragments

Abstract

The structure of silatranes N[CH2(RMeC6H2)O]3SiR1 with planar fragments in six-membered semi-rings was established by the methods of dipole moments and density functional theory calculations. They are endo-structures with transannular interaction N→Si in which the oxygen atoms located adjacent to the silicon participate besides the nitrogen and silicon atoms.