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 27Al and 14N 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.
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14 September 2014
Research Article|
September 08 2014
Generation and structural characterization of aluminum cyanoacetylide
Carlos Cabezas;
Carlos Cabezas
1Grupo 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
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Carmen Barrientos;
Carmen Barrientos
2Departamento de Química Física y Química Inorgánica, Facultad de Ciencias,
Universidad de Valladolid
, Campus Miguel Delibes, Paseo de Belén 7, 47011 Valladolid, Spain
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Antonio Largo;
Antonio Largo
a)
2Departamento de Química Física y Química Inorgánica, Facultad de Ciencias,
Universidad de Valladolid
, Campus Miguel Delibes, Paseo de Belén 7, 47011 Valladolid, Spain
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Jean-Claude Guillemin;
Jean-Claude Guillemin
3Institut 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
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José Cernicharo;
José Cernicharo
4
Group of Molecular Astrophysics
, ICMM C/Sor Juana Ines de la Cruz N3 Cantoblanco, 28049 Madrid, Spain
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Isabel Peña;
Isabel Peña
1Grupo 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
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José L. Alonso
José L. Alonso
a)
1Grupo 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
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a)
Authors to whom correspondence should be addressed. Electronic addresses: alargo@qf.uva.es, Telephone: +34 983423482 and jlalonso@qf.uva.es, Telephone: +34 983186345.
J. Chem. Phys. 141, 104305 (2014)
Article history
Received:
May 30 2014
Accepted:
August 19 2014
Citation
Carlos Cabezas, Carmen Barrientos, Antonio Largo, Jean-Claude Guillemin, José Cernicharo, Isabel Peña, José L. Alonso; Generation and structural characterization of aluminum cyanoacetylide. J. Chem. Phys. 14 September 2014; 141 (10): 104305. https://doi.org/10.1063/1.4894501
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