CALCULATION OF SIGMA-]PI' AND PI-]SIGMA' TRANSITIONS IN VINYLBORANES

Calculations are presented of the energies of the ground and excited σ and π electronic states of ethylene and substituted vinylboranes. The Pople-Segal-Santry method was employed throughout. It is concluded that the excited state of lowest energy in ethylene has π→σ * character whilst the lowest energy ultra-violet spectral bands of the latter compounds stem from σ→π* transitions. © 1968 Springer-Verlag.