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Theoretical study of thet CH3SOO radical

✍ Scribed by Michael L. McKee

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
478 KB
Volume
211
Category
Article
ISSN
0009-2614

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✦ Synopsis

The binding energy of CH,SOO with respect to CH,S and O2 ('Z; ) has been examined at three levels of theory. Only the highest level, modified Gl theory, is able to describe the S-O interaction adequately. Vibrational frequencies are reported at the MP2/6-3 lG( d) level as an aid to possible identification of the complex. The O-O stretch at 1162 cm-' is predicted to be the most intense hand in the IR spectrum.

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