title: Metallic cyanoacetylides of copper, silver and gold: generation and structural characterization.
abstract: The metallic cyanoacetylides CuCCCN, AgCCCN, and AuCCCN have been synthesized in the throat of a pulsed supersonic expansion by reaction of metal vapors, produced by laser ablation, and BrCCCN. Their pure rotational spectra in the (X1Σ+) electronic ground state were observed by Fourier transform microwave spectroscopy in the 2-10 GHz frequency region. Importantly, the rotational spectroscopy constants determined from the analysis of the rotational spectra clearly established the existence of metal-CCCN arrangements for all the mentioned cyanoacetylides. A study of the chemical bonding by means of a topological analysis of the electron density helps to understand the preference for metal-C bonding over metal-N bonding.
authors.affiliation: Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid, Paseo de Belén 5, 47011 Valladolid, Spain. jlalonso@qf.uva.es.
authors.forename: Carlos
authors.initials: C
authors.lastname: Cabezas
authors.affiliation: Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, Campus Miguel Delibes, Paseo de Belén 7, 47011 Valladolid, Spain. alargo@qf.uva.es.
authors.forename: Carmen
authors.initials: C
authors.lastname: Barrientos
authors.affiliation: Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, Campus Miguel Delibes, Paseo de Belén 7, 47011 Valladolid, Spain. alargo@qf.uva.es.
authors.forename: Antonio
authors.initials: A
authors.lastname: Largo
authors.affiliation: Institut des Sciences Chimiques de Rennes, École Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, 35708 Rennes Cedex 7, France.
authors.forename: Jean-Claude
authors.initials: JC
authors.lastname: Guillemin
authors.affiliation: Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid, Paseo de Belén 5, 47011 Valladolid, Spain. jlalonso@qf.uva.es.
authors.forename: J L
authors.initials: JL
authors.lastname: Alonso