RT info:eu-repo/semantics/article
T1 Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation
A1 Cabezas, Carlos
A1 Barrientos Benito, María Carmen
A1 Largo Cabrerizo, Antonio
A1 Guillemin, Jean-Claude
A1 Cernicharo, José
A1 Alonso Hernández, José Luis
K1 Laser ablation
K1 Ablación láser
K1 Isomerism
K1 Isomería
K1 Hyperfine structure
K1 Transición hiperfina
K1 Potential energy surfaces
K1 Superficies de energía potencial
K1 Gas phase
K1 Fase gaseosa
K1 2301.13 Espectroscopia de Microondas
AB 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.
PB AIP Publishing
SN 1089-7690
YR 2019
FD 2019
LK http://uvadoc.uva.es/handle/10324/38294
UL http://uvadoc.uva.es/handle/10324/38294
LA eng
NO The Journal of Chemical Physics, 2019, vol. 151, n. 5. 9 pp.
NO Producción Científica
DS UVaDOC
RD 24-abr-2024