RT info:eu-repo/semantics/article T1 Generation and structural characterization of aluminum cyanoacetylide A1 Cabezas, Carlos A1 Barrientos Benito, María Carmen A1 Largo Cabrerizo, Antonio A1 Guillemin, Jean-Claude A1 Cernicharo, José K1 Espectroscopia de microondas K1 Moléculas AB 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. PB AIP Publishing SN 0021-9606 YR 2014 FD 2014 LK http://uvadoc.uva.es/handle/10324/22510 UL http://uvadoc.uva.es/handle/10324/22510 LA eng NO The Journal of Chemical Physics 141, 104305 (2014) NO Producción Científica DS UVaDOC RD 27-jul-2024