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Taming a monomeric Cu(n6-C6H6)+ complex with silylene

N. Parvin, S. Pal, J. Echeverria, S. Alvarez, S. Khan.
Chem. Sci., 9 (2018) 4333-4337.

Different coordination mode of benzene to Cu(I) depending on the additional ligands.

A computational study of a complex with benzene π-coordinated to copper(I) reveals the subtle interplay of steric and electronic factors that favour such a coordination mode in the only compound of that type known so far, synthesized in the group of S. Khan at the Indian Institute of Science Education and Research in Pune. Based on the explanations proposed and on further calculations, predictions of yet unknown compounds that may also showcase that coordination mode between benzene and copper have been made.