Theoretical study on CuCl-catalyzed coupling of thiol esters with organostannane.

Abstract

The reaction of CuCl-catalyzed coupling of thiol ester with organostannane has been theoretically investigated using density functional calculations. This reaction takes place with CuCl as a catalyst, giving the product ketone and an organotin sulfide. The relatively low overall activation barrier calculated (26.0 kcal/mol) supports the experimental fact… (More)
DOI: 10.1021/jp308810n

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Cite this paper

@article{Liu2012TheoreticalSO, title={Theoretical study on CuCl-catalyzed coupling of thiol esters with organostannane.}, author={Lingjun Liu and Jing Sun and Yuxia Liu and Ping Li and Siwei Bi}, journal={The journal of physical chemistry. A}, year={2012}, volume={116 47}, pages={11736-44} }