Photoelectron spectra and molecular properties. 21, Dimethyl sulfide, methyl silyl sulfide, and disilyl sulfide

Abstract

The photoelectron spectra of methyl and silyl sulfides are assigned on the basis of modified CNDO-SCF-MO calculations. The orbital sequence (2b1, 4a1, 3b2) is found to be independent of conformation. The static geometry of the sulfides is in keeping with a smaller charge shift to sulfur accompanying the carbon-silicon exchange. Comparison of the results wit those of the analogous ethers lends support to the previous assignment of the latter.