4.4 Article

Computational comparison of Rh2(esp)2 and Rh2(O2CH)4 as catalysts in a carbenoid reaction

Journal

TETRAHEDRON LETTERS
Volume 51, Issue 40, Pages 5298-5301

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.tetlet.2010.07.169

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A computational study of Rh-2(esp)(2)-catalysed cyclopropanation of styrene with ethyl bromodiazoacetate is presented. The calculated structures and the energy profile of the reaction show a high level of similarity between Rh-2(esp)(2), a catalyst with sizeable, tethered ligands, and the simplified model catalyst Rh-2(O2CH)(4). (C) 2010 Elsevier Ltd. All rights reserved.

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