Observatorio de I+D+i UPM

Descripción
The classical dynamics of weakly bound floppy van der Waals complexes have been extensively studied in the past except for the weakest of all, i.e., those involving He atoms. These complexes are of considerable current interest in light of recent experimental work focussed on the study of molecules trapped in small droplets of the quantum solvent 4He. Despite a number of quantum investigations, details on the dynamics of how quantum solvation occurs remain unclear. In this paper, the classical rotational dynamics of a series of van der Waals complexes, HX-4He with X=F,Cl,Br,CN, are studied. In all cases, the ground state dynamics are found to be almost entirely chaotic, in sharp contrast to other floppy complexes, such as HCl-Ar, for which chaos sets in only at relatively high energies. The consequences of this result for quantum solvation are discussed. We also investigate rotationally excited states with J = 1 which, except for HCN-4He, are actually resonances that decay by rotational pre-dissociation.
Internacional	Si
JCR del ISI	Si
Título de la revista	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
Factor de impacto JCR	4,064
Información de impacto
Volumen	11
DOI	10.1039/b902486g
Número de revista	37
Desde la página	8203
Hasta la página	8213
Mes	SEPTIEMBRE
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• Autor: Antonio Gamboa (Utah State University, EEUU)
• Autor: F. Borondo (Universidad Autónoma de Madrid)
• Autor: María del Henar Hernández Mendiola (UPM)
• Autor: Jordan A. Ramilowski (Utah State University, EEUU)
• Autor: Juan Carlos Losada Gonzalez (UPM)
• Autor: Rosa Maria Benito Zafrilla (UPM)

• Creador: Grupo de Investigación: Grupo de Sistemas Complejos
• Departamento: Física y Mecánica Fundamentales y Aplicada a la Ingeniería Agroforestal