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Defective Continuous Hydrogen‐Bond Networks: An Alternative Interpretation of IR Spectroscopy
Author(s) -
Schmidt Diedrich A.,
Miki Kazushi
Publication year - 2008
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200800236
Subject(s) - hydrogen bond , aqueous solution , ion , chemistry , spectral line , infrared spectroscopy , spectroscopy , hydrogen , analytical chemistry (journal) , topology (electrical circuits) , inorganic chemistry , molecule , physics , organic chemistry , mathematics , quantum mechanics , combinatorics , astronomy
Abstract We apply our previously developed deconvolution method and interpretation to analyze changes in the OH stretching band [ ν (OH) band] of low‐concentration (≤0.2 m) aqueous solutions of NaCl and KCl. We treat these simple, monovalent ions as defects in the hydrogen‐bond network of pure water and quantify the changes in the spectra at low defect concentration with an “order parameter”. Order‐parameter analysis of difference spectra of the two solutions leads to hydration numbers of 7.0±1.0 and 5.9±0.3 for K + and Na + , respectively. Additionally, we find that changes in the ν (OH) band due to low concentrations of ions result from changes in the topology of the hydrogen‐bond network.