DOUBLE-BONDS IN THE 2ND AND 3RD PERIODS - ABINITIO STUDY OF THE CONJUGATION IN HNX=YHM-ZH2 (X,Y = C, N, SI, AND P, Z = B AND N, N = 1,2, M = 0, 1)

Ab initio SCF calculations were performed to study the conjugation of C, N, Si, and P double bonds with BH2 (π‐acceptor) and NH2 (π‐donor). The variations of the energy, geometry, and electronic distribution on rotation ZH2 groups connected to the double bonds depend greatly on the polarities and polarizabilities of the molecules under study. The repulsive (attractive) interactions of the lone pairs lying in the plane of the double bond with donor (acceptor) orbital can modify strongly the relative stabilities of the conformations and the parameters of the molecule and electronic structures. Copyright © 1990 John Wiley & Sons, Inc.