2026-05-05T19:51:43Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/382942021-06-23T11:55:45Zcom_10324_1186com_10324_931com_10324_894col_10324_1404

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 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 2019-10-01T13:06:20Z 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 Attribution-NonCommercial-NoDerivatives 4.0 Internacional AIP Publishing