title: First isocyanoazulene and its homoleptic complexes.
abstract: An efficient synthesis of remarkably stable 6-isocyanoazulene (CN6Az), the first nonbenzenoid organic isocyanide, is described. Its superb pi-accepting potential as a ligand was demonstrated through cyclic voltammetry studies on the binary complexes [Cr(CN6Az)6]0/+. The paramagnetic shift patterns for [Cr(CN6Az)6]+, the only azulenic pi-system studied by paramagnetic NMR, suggest that Cr(dpi) --> CN6Az(ppi*) electron delocalization involves both rings of the azulenyl substituents in [Cr(CN6Az)6]+. This conclusion is supported by density functional theory calculations on the complex [Cr(CN6Az)6][BF4].
authors.affiliation: Department of Chemistry, University of Kansas, 1251 Wescoe Hall Drive, Lawrence, KS 66045, USA.
authors.forename: Randall E
authors.initials: RE
authors.lastname: Robinson
authors.forename: Thomas C
authors.initials: TC
authors.lastname: Holovics
authors.forename: Stephan F
authors.initials: SF
authors.lastname: Deplazes
authors.forename: Gerald H
authors.initials: GH
authors.lastname: Lushington
authors.forename: Douglas R
authors.initials: DR
authors.lastname: Powell
authors.forename: Mikhail V
authors.initials: MV
authors.lastname: Barybin
mesh_terms: D052176:Azulenes; D018360:Crystallography, X-Ray; D003508:Cycloheptanes / Q000138:chemical synthesis / Q000737:chemistry*; D017953:Isocyanates / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D052176:Azulenes; D003508:Cycloheptanes; D017953:Isocyanates; C005525:azulene