Accession Number : AD0770147

Title :   A Molecular Orbital Description for Sulfur Compounds of Valences 2, 4, and 6.

Descriptive Note : Technical rept.,

Corporate Author : BELFER GRADUATE SCHOOL OF SCIENCE NEW YORK

Personal Author(s) : Bonacic-Koutecky,Vlasta ; Musher,Jeremy I.

Report Date : 30 OCT 1973

Pagination or Media Count : 30

Abstract : The qualitative picture of the bonding involved in sulfur compounds with valences 2, 4 and 6 is discussed. Molecular orbital CNDO/2 calculations are used to describe the covalent and hypervalent bonds in the three simplest hydrides and fluorides half of which are hypothetical. The results with and without d-orbitals on the sulfur atom are compared and bonding can be understood without d-orbitals. Possible structures of a sulfurane dimer and sulfurane oxides which are likely intermediates or stable compounds in this chemistry are considered briefly. (Author)

Descriptors :   *Molecular orbitals, *Sulfur compounds, *Sulfur, Valence, Fluorides, Hydrides, Chemical bonds

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE