Wave packet studies of the vibrational predissociation of three and four-atom van der Waals complexes
Conference
·
OSTI ID:10129515
Vibrational predissociation of XI{sub 2} and X{sub 2}I{sub 2} van der Waals complexes, with X = He and Ne, is studied with wave packets. Three-dimensional calculations are carried out on the three-atom systems. Suitable X{center_dot}{center_dot}I potential interactions are determined, and product distributions are predicted. Reduced dimension models of X{sub 2}I{sub 2}(v{prime}) {yields} 2X + I{sub 2}(v < v{prime}) are investigated. Comparison is made with available experimental results. Mechanistic issues, including the role of intramolecular vibrational relaxation resonances, are addressed.
- Research Organization:
- Argonne National Lab., IL (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 10129515
- Report Number(s):
- ANL/CHM/CP--81637; CONF-9404106--1; ON: DE94007623
- Country of Publication:
- United States
- Language:
- English
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· J. Chem. Phys.; (United States)
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201
664100
74 ATOMIC AND MOLECULAR PHYSICS
ATOMIC CLUSTERS
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
DISSOCIATION
HELIUM COMPLEXES
HELIUM COMPOUNDS
IODINE COMPLEXES
IODINE COMPOUNDS
NEON COMPLEXES
NEON COMPOUNDS
THEORY OF ELECTRONIC STRUCTURE OF ATOMS AND MOLECULES
THREE-DIMENSIONAL CALCULATIONS
VAN DER WAALS FORCES
VIBRATIONAL STATES
WAVE PACKETS
400201
664100
74 ATOMIC AND MOLECULAR PHYSICS
ATOMIC CLUSTERS
CHEMICAL AND PHYSICOCHEMICAL PROPERTIES
DISSOCIATION
HELIUM COMPLEXES
HELIUM COMPOUNDS
IODINE COMPLEXES
IODINE COMPOUNDS
NEON COMPLEXES
NEON COMPOUNDS
THEORY OF ELECTRONIC STRUCTURE OF ATOMS AND MOLECULES
THREE-DIMENSIONAL CALCULATIONS
VAN DER WAALS FORCES
VIBRATIONAL STATES
WAVE PACKETS