Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights

Melissa M. Wu, Arran M. Gill, Lu Yunpeng, Li Yongxin, Rakesh Ganguly, Laura Falivene, Felipe García

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

Treatment of aromatic N-substituted N-heterocyclic carbenes (NHCs) with trimethyl-gallium and -indium yielded the new Lewis acid-base adducts, IMes·GaMe3 (1), SIMes·GaMe3 (2), IPr·GaMe3 (3), SIPr·GaMe3 (4), IMes·InMe3 (5), SIMes·InMe3 (6), IPr·InMe3 (7), and SIPr·InMe3 (8), with all complexes being identified by X-ray diffraction, IR, and multinuclear NMR analyses. Complex stability was found to be largely dependent on the nature of the constituent NHC ligands. Percent buried volume (%VBur) and topographic steric map analyses were employed to quantify and elucidate the observed trends. Additionally, a detailed bond snapping energy (BSE) decomposition analysis focusing on both steric and orbital interactions of the M-NHC bond (M = Al, Ga and In) has been performed.
Original languageEnglish (US)
Pages (from-to)854-864
Number of pages11
JournalDalton Trans.
Volume46
Issue number3
DOIs
StatePublished - 2017

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