2024-03-28T18:01:17Zhttps://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/382942021-06-23T11:55:45Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
2019-10-01T13:06:20Z
urn:hdl:10324/38294
Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation
Cabezas, Carlos
Barrientos Benito, María Carmen
Largo Cabrerizo, Antonio
Guillemin, Jean-Claude
Cernicharo, José
Alonso Hernández, José Luis
Laser ablation
Ablación láser
Producción Científica
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.
2019-10-01T13:06:20Z
2019-10-01T13:06:20Z
2019
info:eu-repo/semantics/article
The Journal of Chemical Physics, 2019, vol. 151, n. 5. 9 pp.
1089-7690
http://uvadoc.uva.es/handle/10324/38294
10.1063/1.5110670
eng
https://aip.scitation.org/doi/10.1063/1.5110670
info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
© 2019 AIP Publishing
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