Lattice vibrations of a monolayer of n‐butane adsorbed on graphite

作者: Hyunyong Kim , Horace R. Danner

DOI: 10.1063/1.444327

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摘要: The incoherent inelastic neutron spectrum of a monolayer n‐butane adsorbed on graphite has been analyzed. system corresponds to two‐dimensional lattice with unit cell having one molecule and four substrate atoms infinite mass. potential energy matrix for the vibration is set up in Cartesian coordinates both intramolecular valence force fields intermolecular pairwise potentials. calculated frequency dispersions hydrogen amplitudes are used calculate scattering cross sections. They summed all normal modes folded instrumental resolution function incident beam profile form composite time‐of‐flight spectrum. comparison observation provides constants. best agreement obtained hydrogen–substrate hydrogen–hydrogen constants 0.04 0.003 mdyn/A, respectively.

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