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Título
Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation
Autor
Año del Documento
2019
Editorial
AIP Publishing
Descripción
Producción Científica
Documento Fuente
The Journal of Chemical Physics, 2019, vol. 151, n. 5. 9 pp.
Abstract
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.
Materias (normalizadas)
Laser ablation
Ablación láser
Materias Unesco
2301.13 Espectroscopia de Microondas
Palabras Clave
Isomerism
Isomería
Hyperfine structure
Transición hiperfina
Potential energy surfaces
Superficies de energía potencial
Gas phase
Fase gaseosa
ISSN
1089-7690
Revisión por pares
SI
Patrocinador
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)
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)
Version del Editor
Propietario de los Derechos
© 2019 AIP Publishing
Idioma
eng
Tipo de versión
info:eu-repo/semantics/publishedVersion
Derechos
openAccess
Collections
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