Polarized infrared spectra of adsorbed on NaCl(100) in the temperature range 5 to 33 K are reported. Doublet features are observed in the and spectral regions. Analysis of the doublet reveals one transition dipole perpendicular to the surface and another transition dipole at from the surface normal. These features are assigned to the C–H stretching vibrations of molecules oriented in a tripod conformation with the hydrogen in the “top” position (H-up) and in a tripod with the hydrogen in one of the “base” positions (H-down), respectively. The fraction of H-up orientational isomers increases with decreasing temperature. It is shown that an energy splitting between H-up and H-down orientational isomers of can explain the temperature dependence. Several possible explanations of the energy splitting are explored. Tunneling between orientational isomers is shown to be the only mechanism of reorientation consistent with the observed conversion time scale.
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15 November 1997
Research Article|
November 15 1997
Orientation and tunneling in monolayer methane: physisorbed onto NaCl(100) Available to Purchase
Kent A. Davis;
Kent A. Davis
Department of Chemistry, Indiana University, Bloomington, Indiana 47405
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George E. Ewing
George E. Ewing
Department of Chemistry, Indiana University, Bloomington, Indiana 47405
Search for other works by this author on:
Kent A. Davis
Department of Chemistry, Indiana University, Bloomington, Indiana 47405
George E. Ewing
Department of Chemistry, Indiana University, Bloomington, Indiana 47405
J. Chem. Phys. 107, 8073–8082 (1997)
Article history
Received:
June 20 1997
Accepted:
August 15 1997
Citation
Kent A. Davis, George E. Ewing; Orientation and tunneling in monolayer methane: physisorbed onto NaCl(100). J. Chem. Phys. 15 November 1997; 107 (19): 8073–8082. https://doi.org/10.1063/1.3427648
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