Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights. Issue 3 (21st December 2016)

• Record Type: Journal Article
• Authors: Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe
• Is Part Of: Dalton transactions. Volume 46:Issue 3(2017)
• Page Start: 854
• Page End: 864
• Publication Date: 2016-12-21
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c6dt04448d
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : Treatment of aromatic N -substituted N-heterocyclic carbenes (NHCs) with trimethylgallium and -indium yielded the new Lewis acid–base adducts (as shown in the Figure). The steric and electronic factors affecting the stability of these complexes were quantified using percent buried volume, topographic steric maps and theoretical studies. 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 (% V Bur ) 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.