Title

Theoretical Studies of Intermediates in Sulfur Oxidation Cycle

Abstract

A number of sulfur-oxygen compounds have been postulated as important in the atmospheric sulfur oxidation cycle. However in many cases neither the structure nor lifetime of a proposed intermediate is known either experimentally or theoretically. We have undertaken a series of ab initio quantum mechanical calculations of the structure of several of the sulfur-oxygen intermediates and of their hydrates. These calculations are used to examine the potential surface of a compound and its stability as a function of geometry. This initial study examines the HSO/HOS systems and their positive ions, the monohydrates of SO2 and SO3, and the H2SO2/S(OH)2/HSO2H isomers.

Meeting Name

CACGP Symposium on Tropospheric Chemistry Part II

Department(s)

Mechanical and Aerospace Engineering

Document Type

Article - Conference proceedings

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 1984 Elsevier, All rights reserved.

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