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Cabezas, Carlos Barrientos Benito, María Carmen Largo Cabrerizo, Antonio Guillemin, Jean-Claude Cernicharo, José 2017-03-09T09:28:25Z 2017-03-09T09:28:25Z 2014 The Journal of Chemical Physics 141, 104305 (2014) 0021-9606 http://uvadoc.uva.es/handle/10324/22510 10.1063/1.4894501 The Journal of Chemical Physics Producción Científica 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. Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA330U13) application/pdf eng AIP Publishing info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2014 AIP Publishing Attribution-NonCommercial-NoDerivatives 4.0 International Espectroscopia de microondas Moléculas Generation and structural characterization of aluminum cyanoacetylide info:eu-repo/semantics/article http://aip.scitation.org/doi/full/10.1063/1.4894501 SI