Mechanism of Thiolate-Disulfide Exchange: Addition–Elimination or Effectively SN2? Effect of a Shallow Intermediate in Gas-Phase Direct Dynamics Simulations

M Paranjothy, MR Siebert, WL Hase…

文献索引：Jarboe, Stephen G.; Terrazas, Michael S.; Beak, Peter Journal of Organic Chemistry, 2008 , vol. 73, # 24 p. 9627 - 9632

全文：HTML全文

被引用次数: 8

摘要

... Beak has applied the endocyclic restriction test to the reaction of a carbanion at a sulfide(22) and ... lying in a well that is 3.4 kcal/mol deep using B3LYP/6-31+G(d).(28 ... thiolate-disulfide reaction in solution, using PCM and microsolvation techniques, predict that the reaction is S N 2 ...