Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/99437
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Theoretical simulations of the He79Br2B, v=8←X, v″=0 excitation spectrum: Spectroscopic manifestation of a linear isomer? |
Autor: | Hernández, Marta I. CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Buchachenko, Alexei A. | Palabras clave: | Spectrum analysis Potential energy surfaces Molecular spectra Molecular spectroscopy Frequency analyzers |
Fecha de publicación: | 2000 | Editor: | American Institute of Physics | Citación: | Journal of Chemical Physics 113: 4620- 4628 (2000) | Resumen: | Possible manifestations of a linear isomer of a rare gas-halogen molecule van der Waals complex in its B←X excitation spectrum are analyzed using a continuous one-parametric family of X-state potential energy surfaces (PESs) with variable depths of minima in the T-shaped and linear configurations. For the HeBr2 complex as an example, the propensities in the frequencies and intensities of the representative transitions from T-shaped and linear isomers are analyzed and the variation of the whole spectrum with the topology of the X-state PES is established. Qualitatively good agreement with the experimental HeBr2 spectrum clearly suggests that the unassigned secondary band of the observed spectrum is likely formed by transitions from the linear isomer, whose energy is very close to that of the T-shaped one. Present results provide strong evidence for the possibility to detect a linear isomer of rare gas-halogen molecule complexes via conventional excitation spectroscopy. © 2000 American Institute of Physics. | URI: | http://hdl.handle.net/10261/99437 | DOI: | 10.1063/1.1288793 | Identificadores: | doi: 10.1063/1.1288793 issn: 0021-9606 |
Aparece en las colecciones: | (CFMAC-IFF) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
MIHernandez.pdf | 311,33 kB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
WEB OF SCIENCETM
Citations
27
checked on 23-feb-2024
Page view(s)
308
checked on 22-abr-2024
Download(s)
299
checked on 22-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.