Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
Chaos in the classical mechanics of bound and quasi-bound HX-4He complexes with X=F,Cl,Br,CN
Year:2009
Research Areas
  • Mathematics
Information
Abstract
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.
International
Si
JCR
Si
Title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISBN
1463-9076
Impact factor JCR
4,064
Impact info
Volume
11
10.1039/b902486g
Journal number
37
From page
8203
To page
8213
Month
SEPTIEMBRE
Ranking
Participants
  • 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)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Física y Mecánica Fundamentales y Aplicada a la Ingeniería Agroforestal
S2i 2019 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)