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Theoretical infrared spectra of biphenyl, terphenyls and tetraphenyls for astrophysical purposes
TALBI D., Chandler G.
Journal of Molecular Spectroscopy 275 (2012) 21, - http://hal.archives-ouvertes.fr/hal-00701677
Planète et Univers/Astrophysique/Astrophysique stellaire et solaire
Physique/Astrophysique/Astrophysique stellaire et solaire
Chimie/Chimie théorique et/ou physique
Theoretical infrared spectra of biphenyl, terphenyls and tetraphenyls for astrophysical purposes
Dahbia TALBI ()1, G. Chandler
1 :  LUPM - Laboratoire Univers et Particules de Montpellier
http://web.lupm.univ-montp2.fr/
CNRS : UMR5299 – Université Montpellier II - Sciences et techniques – IN2P3
Université de Montpellier II Place Eugène Bataillon - CC 72 34095 Montpellier Cédex 05
France
AS
The infrared spectra of biphenyl, terphenyls, tetraphenyls and of their singly charged positive ions are 23 calculated within the density functional theory framework. This is a resource to aid in searching for what 24 could be abundant species in some regions of carbon star envelopes. These calculations show that there 25 exists a combination of four sets of infrared bands that is unique to these phenyls. Observation of these 26 bands in the envelopes of carbon stars would confirm the importance of polyphenyls in the processes 27 leading to the formation of larger PAHs.
Anglais

Journal of Molecular Spectroscopy
Publisher Elsevier
ISSN 0022-2852 (eISSN : 1096-083X)
internationale
Articles dans des revues avec comité de lecture
08/05/2012
275
21,

LUPM:12-033