Self-consistent molecular orbital calculations on aminoboranes

Abstract

Calculations are presented of the π electronic structures and spectra of five aminoboranes. The Pariser–Parr–Pople L.C.A.O.–M.O.–S.C.F. technique is used throughout together with a fixed set of input data. The calculated electronic energies agree quite well with the observed spectra where these are known. The effects of substitution at boron or nitrogen on the π electron distribution are discussed.