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

Cabezas, Carlos Barrientos Benito, María Carmen Largo Cabrerizo, Antonio Guillemin, Jean-Claude Cernicharo, José Alonso Hernández, José Luis 2019-10-01T13:06:20Z 2019-10-01T13:06:20Z 2019 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 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. Consejo Europeo de Investigación a través del VII Programa Marco de Investigación y Desarrollo (grant 610256 NANOCOSMOS) Ministerio de Economía, Industria y Competitividad (grants CTQ 2013-40717-P / CTQ 2013-76393-P / AYA2017-87515-P / Consolider-Ingenio 2010 CSD2009-00038) Junta de Castilla y León (grants VA175U13 / VA010G18 / VA077U13) application/pdf eng AIP Publishing info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2019 AIP Publishing Attribution-NonCommercial-NoDerivatives 4.0 Internacional Laser ablation Ablación láser Isomerism Isomería Hyperfine structure Transición hiperfina Potential energy surfaces Superficies de energía potencial Gas phase Fase gaseosa 2301.13 Espectroscopia de Microondas Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion https://aip.scitation.org/doi/10.1063/1.5110670 SI