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Rotationally Mediated Selective Adsorption as a Probe of Isotropic and Anisotropic Molecule—Surface Interaction Potentials: HD( J )/Ag(111)
Author(s) -
Yu ChienFan,
Hogg Charles S.,
Cowin James P.,
Whaley K. Birgitta,
Light John C.,
Sibener Steven J.
Publication year - 1982
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198200060
Subject(s) - chemistry , morse potential , physisorption , anisotropy , isotropy , scattering , bound state , molecular physics , atomic physics , asymmetry , wave function , adsorption , quantum mechanics , physics
Rotationally mediated selective adsorption scattering resonances are used to make an experimental and theoretical study of the laterally averaged interaction potential between HD and a weakly corrugated system, Ag(111). The experimentally observed resonances determine the vibrational levels of the HD/Ag(111) physisorption potential as a function of bound rotational state. These vibrational levels show J ‐dependent shifts due to the orientational anisotropy of the potential. Exact quantum scattering calculations using a full laterally averaged potential of the form have been carried out to obtain rotationally inelastic transition probabilities. Experimental and theoretical resonance energies are compared for two forms of v o ( z ), a Morse and a variable exponent potential, as a function of β, and are found to be very close to the first‐order perturbed energies of a free rotor in bound states of v o ( z ). Both potential forms give equally good fits to the data, yielding an optimum value of the asymmetry parameter, β ≈ — 0.05. The determination of β is relatively insensitive to small changes in the v o ( z ) well depth.