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Vibrational spectra of solid hydrogen iodide—a lattice dynamics study
Author(s) -
Zeng W. Y.,
Mao Y. Z.,
Anderson A.
Publication year - 1999
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(199911)30:11<995::aid-jrs475>3.0.co;2-x
Subject(s) - halogen , halide , iodide , chemistry , raman spectroscopy , deuterium , halogen bond , hydrogen iodide , hydrogen , hydrogen bond , molecule , hydrogen halide , crystal structure , spectral line , molecular vibration , crystallography , inorganic chemistry , atomic physics , organic chemistry , physics , alkyl , optics , astronomy
The vibrational spectra of crystalline hydrogen iodide and its deuterated analogue in their low‐temperature ordered phase were computed using a simple force constant model. The results are compared with experimental Raman and infrared data, and satisfactory agreement is obtained for the lattice modes and the crystal field splittings of the internal modes. Comparison with the other hydrogen halides shows that the halogen–halogen nearest neighbour interactions are more important for the iodide, whereas hydrogen bonding between molecules plays a less dominant role. As a result, the iodide adopts a different structure to the other three halides at low temperatures. Copyright © 1999 John Wiley & Sons, Ltd.