Calculation of Rotational Energy Levels of CH_4 in Solid Ar

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概要

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• M. Prager et at. have shown by inelastic neutron scattering that the methanemolecules dispersed in solid argon have two sites. It is inferred that the tetrahedralmolecule receives not only the octahedral field at one site but the tetrahedral field atthe other site. The latter field may be contributed from hcp structure in host atoms.The crystal field analysis is made in 3rd, 4th, and 6th orders using the conventionalatom-atom potentials. It is concluded that C.. configuration is dominant in fcc latticewhile T. one in hcp lattice. In addition, rotational energy levels are computed in termsof the estimated field parameters. The result is connpatible with the observed neutronscattering spectra.[methane molecule, molecular rotation, rare gas matrix, crystal field, rotational l] energy, theoryll

• 社団法人日本物理学会の論文
• 1990-04-15

著者

• Ozaki Yoshiaki

  Department Of Chemistry Nagoya Institute Of Technology

• Ozaki Yoshiaki

  Department Of Chemistry Nagoyo Institute Of Technology

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• The Field Dependence of Intensity of Neutron Scattering for a Tetrahedral Ion

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