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Generation and structural characterization of aluminum cyanoacetylide.


ABSTRACT: 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 (27)Al and (14)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.

SUBMITTER: Cabezas C 

PROVIDER: S-EPMC4681119 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Generation and structural characterization of aluminum cyanoacetylide.

Cabezas Carlos C   Barrientos Carmen C   Largo Antonio A   Guillemin Jean-Claude JC   Cernicharo José J   Peña Isabel I   Alonso José L JL  

The Journal of chemical physics 20140901 10


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 (27)Al and (14)N nuclear quadrupole coupling const  ...[more]

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