Desorption of vibrationally excited adsorbates in competition with relaxation: A quantal picture

Journal Article · Sat Sep 15 04:00:00 EDT 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.458723· OSTI ID:6531025

Guan, Y; Muckerman, J T ^[1]; Uzer, T ^[2]

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1. Chemistry Department, Brookhaven National Laboratory, Upton, NY (USA)
2. School of Physics, Georgia Institute of Technology, Atlanta, GA (USA)

The competition between desorption and relaxation of vibrationally excited CO adsorbed on a series of model surfaces is examined theoretically using a quantum mechanical description of the dynamics. This study complements that reported in the preceding paper which studied the classical mechanics of these processes. Quantitative differences between the quantal and classical results are seen in the rate constants for the various energy transfer processes. Moreover, {ital qualitative} differences are seen in the trend in the dynamics as the Debye frequency of the model surface is increased. The differences in the various rate constants in the quantal and classical calculations lead to an unusual quantum effect'' in which the trend in the energy flow with increasing Debye frequency is in different directions. Relaxation of the excited adsorbate is the dominant trend in the classical mechanics; thermal desorption of the excited adsorbate is the dominant trend in the quantal calculations.

• DOE Contract Number: AC02-76CH00016
• OSTI ID: 6531025
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 93:6; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
DESORPTION
ENERGY LEVELS
ENERGY TRANSFER
EXCITED STATES
KINETICS
MATHEMATICAL MODELS
MECHANICS
OXIDES
OXYGEN COMPOUNDS
QUANTUM MECHANICS
RELAXATION
SURFACE PROPERTIES
VIBRATIONAL STATES