Quantumchemical Investigation of Unsaturated Sixmembered Heterocycles: I. Steric and Electronic Structures of 1,2-dihydro-1,2-azaphosphorin

Abstract

By quantumchemical calculations of 1,2-dihydro-1,2-azaphosphorin by semiempirical and abinitio calculations we discovered that in gas phase it has twist form with planar nitrogen and pyramidal phosphorus atoms, the latter with a pseudoaxial substituent. The N-H and P-H bonds occupy anticlinal positions.