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)