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Lattice Dynamics of Cyanogen
Author(s) -
Zeng W. Y.,
Anderson A.
Publication year - 1993
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.2221800109
Subject(s) - cyanogen , intramolecular force , quadrupole , intermolecular force , lattice (music) , vibration , lattice vibration , materials science , computational chemistry , condensed matter physics , chemistry , physics , molecule , atomic physics , stereochemistry , quantum mechanics , phonon , organic chemistry , acoustics
A simple force constant model is described and applied to the vibrations of crystalline cyanogen, C 2 N 2 , at low temperatures. The model uses eleven adjustable parameters (six intermolecular and five intramolecular) to calculate the frequencies of seventeen lattice modes and twenty‐eight components of internal modes, and reasonable agreement with spectroscopic data is obtained. Although cyanogen shows many of the characteristics of a typical molecular crystal, there is some evidence that its large quadrupole moment results in longer‐range forces being more significant than usual, particularly in contributing to the splittings of some internal modes.