The metallic cyanoacetylides LiC3N, NaC3N, MgC3N, and CaC3N have been investigated by combined spectroscopy measurements and theoretical calculations. The theoretical calculations predict for the four species that the linear isomer with the formula MCCCN (M = Li, Na, Mg, and Ca) is the most stable one. We used laser ablation molecular beam Fourier transform microwave (FTMW) spectroscopy to synthesize these species by the reaction of metal vapors, produced by laser ablation, and 3-bromo-2-propynenitrile (BrCCCN). Pure rotational spectra were observed by FTMW 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 toward the carbon-rich evolved star IRC +10 216, but only upper limits to their abundances have been obtained.
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7 August 2019
Research Article|
August 07 2019
Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation
Carlos Cabezas
;
Carlos Cabezas
a)
1
Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid
, Paseo de Belén 5, 47011 Valladolid, Spain
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Carmen Barrientos
;
Carmen Barrientos
2
Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, Campus Miguel Delibes
, Paseo de Belén 7, 47011 Valladolid, Spain
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Antonio Largo;
Antonio Largo
b)
2
Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, Campus Miguel Delibes
, Paseo de Belén 7, 47011 Valladolid, Spain
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Jean-Claude Guillemin
;
Jean-Claude Guillemin
3
Univ. Rennes, Ecole Nationale Supérieure de Chimie de Rennes, CNRS, ISCR – UMR6226
, F-35000 Rennes, France
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José Cernicharo
;
José Cernicharo
4
Instituto de Física Fundamental (IFF, CSIC), Group of Molecular Astrophysics
, C/Serrano 123, 28006 Madrid, Spain
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José L. Alonso
José L. Alonso
b)
1
Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid
, Paseo de Belén 5, 47011 Valladolid, Spain
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a)
Present address: Instituto de Física Fundamental (IFF, CSIC). Group of Molecular Astrophysics, C/Serrano 123, 28006 Madrid, Spain.
J. Chem. Phys. 151, 054312 (2019)
Article history
Received:
May 20 2019
Accepted:
July 05 2019
Citation
Carlos Cabezas, Carmen Barrientos, Antonio Largo, Jean-Claude Guillemin, José Cernicharo, José L. Alonso; Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation. J. Chem. Phys. 7 August 2019; 151 (5): 054312. https://doi.org/10.1063/1.5110670
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