QUANTUM-CHEMICAL STUDY OF ALLYLIC AND VINYLIC COMPOUNDS OF 5TH-GROUP ELEMENTS

Energies and oscillator strengths of the long-wave electronic transiti ons for several conformers of allyl- and vinylamine and allyl- and vin ylphosphine have been calculated by the semiempirical quantum-chemical MNDO method. The electronic structure of these molecules is discussed in detail, and the spectral and conformational effects of n,pi and si gma,pi conjugation are analyzed. Some suggestions concerning possible conjugation effects in the allylic compounds of As, Sb, and Bi are mad e.