A Molecular Orbital Description for Sulfur Compounds of Valences 2, 4, and 6.
BELFER GRADUATE SCHOOL OF SCIENCE NEW YORK
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The qualitative picture of the bonding involved in sulfur compounds with valences 2, 4 and 6 is discussed. Molecular orbital CNDO2 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
- Atomic and Molecular Physics and Spectroscopy