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 (βGΒ°2 98 of the deprotonation reaction in kJ mol -1 ): H-S-O-H 1468, H-S-O-H 1449
On trends in gas-phase acidities of elemental hydrides
β Scribed by D.W. Davis
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 360 KB
- Volume
- 127
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
Hydron exchange rates, k exc (M Γ1 s Γ1 ), using methanolic sodium methoxide were compared with DGΒ°A cid , (kcal mol Γ1 ) (gas phase) for 9-phenylfluorene, C 6 H 5 CH(CF 3 ) 2 , m-CF 3 C 6 H 4 CH(CF 3 ) 2 , p-CF 3 C 6 H 4 CHClCF 3 , m-CF 3 C 6 H 4 CHClCF 3 , 3,5-(CF 3 ) 2 C 6 H 3 CHClCF 3 , fluorene
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