Tetrahedron

Theoretical and structural studies on mechanism of the Stec reaction

M del Carmen Michelini, N Russo, S Alcaro…

Index: Michelini, Maria Del Carmen; Russo, Nino; Alcaro, Stefano; Wozniak, Lucyna A. Tetrahedron, 2012 , vol. 68, # 27-28 p. 5554 - 5563

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Abstract

The mechanism of the Stec reaction between phosphoroselenanilidate or phosphonoanilidate and CS2, activated by strong bases, has been studied computationally, using DFT methods, and experimentally, by low temperature 31P NMR spectroscopy. From molecular calculations, the reaction pathway of the reaction has been revealed with several transition states and intermediates, including a low energy spirocyclic pentacoordinate ...