Selective Nucleophilic Attack of Trisulfides. An ab Initio Study

The nucleophilic substitution reactions of three trisulfides by thiolate were evaluated at MP2(full)/6-31+G* and MP4SDTQ(fc)/6-311+G**//MP2(full)/6-31+G*. The results show that the gas-phase mechanism at MP2/6-31+G* is addition−elimination. Kinetically, there is a 2−5 kcal mol-1 preference for attac...

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Veröffentlicht in:	Journal of the American Chemical Society 1996-10, Vol.118 (39), p.9415-9421
Hauptverfasser:	Mulhearn, Debbie C, Bachrach, Steven M
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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