title: Generation and structural characterization of aluminum cyanoacetylide.
abstract: Combined spectroscopy measurements and theoretical calculations bring to light a first investigation of a metallic cyanoacetylide, AlC3N, using laser ablation molecular beam Fourier transform microwave spectroscopy. This molecule was synthesized in a supersonic expansion by the reaction of aluminum vapour with C3N, produced from solid aluminum rods and BrCCCN in a newly constructed ablation-heating nozzle device. A set of accurate rotational and (27)Al and (14)N nuclear quadrupole coupling constants have been determined from the analysis of the rotational spectrum and compared with those predicted in a high-level ab initio study, conducting to the assignment of the observed species to linear AlCCCN. We have searched for this species towards the carbon-rich evolved star IRC + 10216 but only an upper limit to its abundance has been obtained.
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.
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.
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.
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: Group of Molecular Astrophysics, ICMM C/Sor Juana Ines de la Cruz N3 Cantoblanco, 28049 Madrid, Spain.
authors.forename: José
authors.initials: J
authors.lastname: Cernicharo
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.
authors.forename: Isabel
authors.initials: I
authors.lastname: Peña
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.
authors.forename: José L
authors.initials: JL
authors.lastname: Alonso