An infrared and CNDO study of a water-chlorine complex

The infrared spectrum of a water-chlorine complex in a nitrogen matrix at 20 K has been recorded. The results are compared with CNDO/2 calculations of structure and vibration spectra. The isotope shifts of the asymmetric stretching vibration of water is used to calculate the HOH angle in monomeric w...

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Bibliographic Details
Published in:Journal of molecular structure 1973-01, Vol.16 (2), p.217-224
Main Authors: Fredin, Leif, Nelander, Bengt
Format: Article
Language:English
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Summary:The infrared spectrum of a water-chlorine complex in a nitrogen matrix at 20 K has been recorded. The results are compared with CNDO/2 calculations of structure and vibration spectra. The isotope shifts of the asymmetric stretching vibration of water is used to calculate the HOH angle in monomeric water and in the water-chlorine complex.
ISSN:0022-2860
1872-8014
DOI:10.1016/0022-2860(73)80063-8