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Title: Generation and structural characterization of aluminum cyanoacetylide

Combined spectroscopy measurements and theoretical calculations bring to light a first investigation of a metallic cyanoacetylide, AlC{sub 3}N, using laser ablation molecular beam Fourier transform microwave spectroscopy. This molecule was synthesized in a supersonic expansion by the reaction of aluminum vapour with C{sub 3}N, produced from solid aluminum rods and BrCCCN in a newly constructed ablation-heating nozzle device. A set of accurate rotational and {sup 27}Al and {sup 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:
; ;  [1] ; ;  [2] ;  [3] ;  [4]
  1. 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)
  2. Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, Campus Miguel Delibes, Paseo de Belén 7, 47011 Valladolid (Spain)
  3. 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)
  4. Group of Molecular Astrophysics, ICMM C/Sor Juana Ines de la Cruz N3 Cantoblanco, 28049 Madrid (Spain)
Publication Date:
OSTI Identifier:
22308368
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 10; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALUMINIUM; ALUMINIUM 27; COMPARATIVE EVALUATIONS; COUPLING CONSTANTS; FOURIER TRANSFORMATION; MOLECULAR BEAMS; MOLECULES; NITROGEN 14; SOLIDS; SPECTRA; SPECTROSCOPY