Ab initio MO study of the solvent effect
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Osamu Kikuchi; Yoko Sano; Ohgi Takahashi; Kenji Morihashi
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Article
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1996
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John Wiley and Sons
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English
β 524 KB
A recently developed ab initio MO theory including solvent effects has been applied to a typical cation-anion reaction, the SN2 reaction of the trimethylsulfonium cation with the chloride anion. In the gas phase, the trimethylsulfonium and chloride ions are unstabilized, and the reaction is expected