Rotationally mediated selective adsorption as a probe of isotropic and anisotropic molecule. Surface interaction potentials: HD(J)/Ag(111)

Abstract : 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 V sub o(z,0) = v sub o (z) (1 + beta P sub 2 (cos theta)) have been carried out to obtain rotationally inelastic transition probabilities. Experimental and theoretical resonance energies are compared for two forms of v sub o(z), a Morse and a variable exponent potential, as a function of Beta, and are found to be very close to the first order perturbed energies of a free rotor in bound states of v sub o(z). Both potential forms give equally good fits to the data, yielding an optimum value of the asymmetry parameter, Beta approx. -0.05. The determination of Beta is relatively insensitive to small changes in the v sub o(z) well depth. (Author)

[1]  K. B. Whaley,et al.  Calculation of rotationally mediated selective adsorption in molecule surface scattering: HD on Pt(111)☆ , 1982 .

[2]  G. Scoles,et al.  Bound state resonant scattering of atoms from a layer of gas adsorbed on the surface of a crystal , 1982 .

[3]  R. Schinke.  Bound-level resonances in diatom-(rigid) surface scattering , 1982 .

[4]  J. Harris,et al.  Observation of Rotational Transitions forH2,D2, and HD Adsorbed on Cu(100) , 1982 .

[5]  R. Laughlin.  Helium diffraction from the GaAs(110) surface and the generation of helium-surface potentials , 1982 .

[6]  P. Avouris,et al.  Observation of Rotational Excitations of H 2 Adsorbed on Ag Surfaces , 1982 .

[7]  Mark J. Cardillo,et al.  Gas-Surface Interactions Studied with Molecular Beam Techniques , 1981 .

[8]  G. Scoles,et al.  Diffractive scattering of H atoms from an ordered xenon overlayer adsorbed on the (0001) surface of graphite , 1981 .

[9]  S. Sibener,et al.  Bound level resonances in rotationally inelastic HD/Pt (111) surface scattering , 1981 .

[10]  D. Hamann.  Surface Charge Densities and Atom Diffraction , 1981 .

[11]  D. Kouri,et al.  Rotationally inelastic molecule--surface scattering in the sudden approximation , 1980 .

[12]  H. Hoinkes.  The physical interaction potential of gas atoms with single-crystal surfaces, determined from gas-surface diffraction experiments , 1980 .

[13]  J. Nørskov,et al.  Dependence of the He-Scattering Potential at Surfaces on the Surface-Electron-Density Profile , 1980 .

[14]  S. Terreni,et al.  A simple and flexible atom-surface potential with easy-to-handle vibrational spectrum , 1980 .

[15]  L. Mattera,et al.  Vibrational spectrum of H and D on the (0001) graphite surface from scattering experiments , 1980 .

[16]  L. Mattera,et al.  Selective adsorption of 1H2 and 2H2 on the (0001) graphite surface , 1980 .

[17]  R. Silbey,et al.  The interaction of H2 with a jellium surface , 1979 .

[18]  M. W. Cole,et al.  Semiempirical determination of the atom-surface interaction , 1978 .

[19]  C. A. Becker,et al.  Energy accommodation and reactivity of O2 on tungsten , 1977 .

[20]  E. Thompson,et al.  Bound state resonances in atom-solid scattering , 1976 .

[21]  L. Mattera,et al.  Elastic and rotationally inelastic diffraction of hydrogen molecular beams from the (001) face of LiF at 80°K , 1976 .

[22]  G. Ehrlich,et al.  Rotationally inelastic diffraction of molecular beams: H2, D2, HD from (001) MgO , 1975 .

[23]  G. Ehrlich,et al.  Internal energy exchange in molecular collisions with a crystal , 1975 .

[24]  G. Wolken.  The diffraction of H2, D2 from solid LiF , 1973 .

[25]  G. Wolken.  Collision of a diatomic molecule with a solid surface , 1973 .

[26]  L. Wolniewicz,et al.  Polarizability of the Hydrogen Molecule , 1967 .

[27]  M. B. Webb,et al.  Surface Lattice Dynamics of Silver. I. Low-Energy Electron Debye-Waller Factor , 1966 .

[28]  R. B. Scott,et al.  Compilation of thermal properties of hydrogen in its various isotopic and ortho-para modifications. , 1948, Journal of research of the National Bureau of Standards.

[29]  A. L. G. Rees,et al.  The calculation of potential-energy curves from band-spectroscopic data , 1947 .

[30]  J. Lennard-jones,et al.  The interaction of atoms and molecules with solid surfaces VII—The diffraction of atoms by a surface , 1937 .

[31]  J. Lennard-jones,et al.  Diffraction and Selective Adsorption of Atoms at Crystal Surfaces , 1936, Nature.

[32]  Ragnar Rydberg,et al.  Graphische Darstellung einiger bandenspektroskopischer Ergebnisse , 1932 .

[33]  O. Klein,et al.  Zur Berechnung von Potentialkurven für zweiatomige Moleküle mit Hilfe von Spektraltermen , 1932 .

[34]  O. Stern,et al.  Beugung von Molekularstrahlen , 1930 .