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Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights
M.M. Wu, A.M. Gill, L. Yunpeng, L. Yongxin, , L. Falivene, F. García
Published in Royal Society of Chemistry
2017
PMID: 28001163
Volume: 46
   
Issue: 3
Pages: 854 - 864
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. © The Royal Society of Chemistry.
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