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Lattice Dynamics of Dichlorodifluoromethane
Author(s) -
Zeng W. Y.,
Anderson A.
Publication year - 1995
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221910109
Subject(s) - intramolecular force , intermolecular force , raman spectroscopy , lattice vibration , force constant , molecular dynamics , lattice (music) , lattice constant , vibration , thermodynamics , chemistry , computational chemistry , materials science , molecule , physics , condensed matter physics , stereochemistry , diffraction , organic chemistry , quantum mechanics , acoustics , phonon
A simple force constant model is applied to the vibrations of crystalline CCl 2 F 2 at low temperatures, and good agreement with recent spectroscopic results is obtained. The calculations suggest that two weak Raman peaks observed in the lattice region should be re‐assigned as fundamentals. Principal intermolecular interactions are identified, and it is shown that the intramolecular force constants change only slightly from their gas phase values.