Generation and structural characterization of aluminum cyanoacetylide

Producción CientíficaCombined 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

Generation and structural characterization of aluminum cyanoacetylide.

International audienceCombined spectroscopy measurements and theor. calcns. bring to light a first investigation of a metallic cyanoacetylide, AlC3N, using laser ablation mol. beam Fourier transform microwave spectroscopy. This mol. was synthesized in a supersonic expansion by the reaction of aluminum vapor 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 consts. have been detd. from the anal. of the rotational spectrum and compared with those predicted in a high-level ab initio study, conducting to the assignment of the obsd. 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. (c) 2014 American Institute of Physics. [on SciFinder(R)

Generation and structural characterization of aluminum cyanoacetylide

Combined spectroscopy measurements and theoretical calculations bring to light a first investigation of a metallic cyanoacetylide, AlCN, using laser ablation molecular beam Fourier transform microwave spectroscopy. This molecule was synthesized in a supersonic expansion by the reaction of aluminum vapour with CN, produced from solid aluminum rods and BrCCCN in a newly constructed ablation-heating nozzle device. A set of accurate rotational and Al and 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.This research has been supported by the Ministerio de Ciencia e Innovación of Spain (Grants CTQ2010-19008, Consolider-Ingenio 2010 CSD2009-00038, and CTQ2010-16864), by European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013)/ERC-2013-SyG (Grant Agreement No. 610256 NANOCOSMOS) and by the Junta de Castilla y León (Grants VA175U13 and VA077U13). C.C. thanks the Junta de Castilla y León for a postdoctoral contract (Grant CIP13/01). J.-C.G. thanks the Centre National d’Etudes Spatiales (CNES) and the Program PCMI (INSU-CNRS) for financial support. J.-C.G. and J.C. received the support of the contract ANR-13-BS05-0008 IMOLABS