title: Synthesis and structure of a carbene-stabilized boraallene coordinated to rhodium.
abstract: Reaction of the (B,C-η(2))-1-aza-2-borabutatriene rhodium complex 1 with 1,3-dimethylimidazol-2-ylidene) (IMe, 2) afforded the N-heterocyclic carbene-stabilized (C,C-η(2))-1-boraallene rhodium complex 3, which has been characterized in solution and by X-ray crystallography. Density functional theory calculations were carried out to elucidate the observed base-induced B-C to C-C coordination mode shift, which suggested that the latter is 25 kJ/mol lower in energy.
authors: Institut für Anorganische Chemie, Julius-Maximilians-Universität , Am Hubland, 97074 Würzburg, Germany. h.braunschweig@uni-wuerzburg.de
authors: Holger
authors: H
authors: Braunschweig
authors: Qing
authors: Q
authors: Ye
authors: Krzysztof
authors: K
authors: Radacki
mesh_terms: D000466:Alkadienes / Q000737:chemistry*; D001896:Boron Compounds / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008697:Methane / Q000031:analogs & derivatives* / Q000737:chemistry; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry*; D011789:Quantum Theory; D012238:Rhodium / Q000737:chemistry*
chemical_list: D000466:Alkadienes; D001896:Boron Compounds; D009942:Organometallic Compounds; C030011:carbene; D012238:Rhodium; D008697:Methane