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Título : Vibration rotation spectra of hydrogen halidesin rare-gas liquids: Q-branch absorption
Autor(es) : Medina Domínguez, Alejandro
Mateos Roco, José Miguel
Calvo Hernández, Antonio
Velasco Maíllo, Santiago
Palabras clave : Rotación molecular
Molecular rotation
Fecha de publicación : 2004
Editor : Blackwell's (Oxford, Gran Bretaña)
Citación : Medina Domínguez, A., Mateos Roca, J. M, Calvo Hernández, A. and Velasco Maíllo, S. (2004). Vibration rotation spectra of hydrogen halidesin rare-gas liquids: Q-branch absorption. "Pure Applied Chemistry", 76, 241-246.
Resumen : Near-infrared spectra of HCl highly diluted in liquid Ar show intense absorption in the P-R interbranch region, so-called Q-branch absorption. In spite of its relevance for the shape of the bands, its physical origin has been elusive to date. We employ molecular dynamics simulations to study the influence of some physical effects that could contribute toQ-branch absorption. We check that multipole-induced dipole induction mechanisms are not quantitatively relevant in this spectral region. We show that the particular characteristics of accurate HCl Ar anisotropic potentials and the peculiar hindered rotational motion they provoke on the diatomic probe are essential to understand Q-branch absorption.
Descripción : Esprectro de vibración-rotación de haluros hidrogenados : absorción Q-brach
URI : http://hdl.handle.net/10366/19223
http://hdl.handle.net/10366/19223
Aparece en las colecciones: DFA. Artículos del Departamento de Física Aplicada

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