Open AccessAlkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation
Author(s) -
C. Cabezas,
Carmen Barrientos,
Antonio Largo,
JeanClaude Guillemin,
J. Cernicharo,
José L. Alonso
Publication year - 2019
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5110670
Subject(s) - laser ablation , spectroscopy , rotational spectroscopy , fourier transform infrared spectroscopy , analytical chemistry (journal) , spectral line , chemistry , fourier transform , alkaline earth metal , microwave , metal , fourier transform spectroscopy , laser , atomic physics , molecule , optics , physics , organic chemistry , quantum mechanics , astronomy
The metallic cyanoacetylides LiC 3 N, NaC 3 N, MgC 3 N and CaC 3 N have been investigated by combined spectroscopy measurements and theoretical calculations. The theoretical calculations predict for the four species that the linear isomer with formula MCCCN (M= Li, Na, Mg and Ca) is the most stable one. We used the laser ablation molecular beam Fourier transform microwave spectroscopy to synthesize these species by the reaction of metal vapors, produced by laser ablation, and the 3-bromo-2-propynenitrile (BrCCCN). The pure rotational spectra were observed by Fourier transform microwave spectroscopy in the 2-18 GHz frequency region only for LiCCCN and NaCCCN, while no spectral signatures for MgCCCN and CaCCCN could be detected. Finally, we have searched for LiCCCN and NaCCCN species towards the carbon-rich evolved star IRC + 10216 but only upper limits to their abundances have been obtained.