title: Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.
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.
authors.affiliation: School of Physical and Mathematical Sciences, Division of Chemistry and Biological Chemistry, Nanyang Technological University, 21 Nanyang Link, Singapore, 637371, Singapore. Fgarcia@ntu.edu.sg.
authors.forename: Melissa M
authors.initials: MM
authors.lastname: Wu
authors.affiliation: Chemistry, Faculty of Natural and Environmental Sciences, University of Southampton, Highfield Southampton, SO17 1BJ, UK.
authors.forename: Arran M
authors.initials: AM
authors.lastname: Gill
authors.affiliation: School of Physical and Mathematical Sciences, Division of Chemistry and Biological Chemistry, Nanyang Technological University, 21 Nanyang Link, Singapore, 637371, Singapore. Fgarcia@ntu.edu.sg.
authors.forename: Lu
authors.initials: L
authors.lastname: Yunpeng
authors.affiliation: School of Physical and Mathematical Sciences, Division of Chemistry and Biological Chemistry, Nanyang Technological University, 21 Nanyang Link, Singapore, 637371, Singapore. Fgarcia@ntu.edu.sg.
authors.forename: Li
authors.initials: L
authors.lastname: Yongxin
authors.affiliation: School of Physical and Mathematical Sciences, Division of Chemistry and Biological Chemistry, Nanyang Technological University, 21 Nanyang Link, Singapore, 637371, Singapore. Fgarcia@ntu.edu.sg.
authors.forename: Rakesh
authors.initials: R
authors.lastname: Ganguly
authors.affiliation: King Abdullah University of Science and Technology, Building 9, Level 4, Room #4358, Thuwal, 23955-6900, Saudi Arabia. laura.falivene@kaust.edu.sa.
authors.forename: Laura
authors.initials: L
authors.lastname: Falivene
authors.affiliation: School of Physical and Mathematical Sciences, Division of Chemistry and Biological Chemistry, Nanyang Technological University, 21 Nanyang Link, Singapore, 637371, Singapore. Fgarcia@ntu.edu.sg.
authors.forename: Felipe
authors.identifier: http://orcid.org/0000-0002-9605-3611
authors.initials: F
authors.lastname: García