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Gas-Phase Acidities of Nine Sulfur Oxoacids of Composition [H2,S,On] (n = 1–4)

✍ Scribed by André H. Otto; Ralf Steudel

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
274 KB
Volume
2000
Category
Article
ISSN
1434-1948

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✦ Synopsis

The gas-phase acidities of the most stable conformations of nine sulfur oxo acids were determined by ab initio MO calculations at the CBS-Q, G2(MP2), and G2 levels of theory. The most accurate G2 results are as follows (∆G°2 98 of the deprotonation reaction in kJ mol -1 ): H-S-O-H 1468, H-S-O-H 1449, (HO) 2

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