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Concentration (D 2 O in H 2 O) and temperature Raman study of the molecular interactions in the OD stretching spectra of D 2 O and D 2 O/H 2 O mixtures using the fourier deconvolution technique
Author(s) -
Zhelyaskov V.,
Georgiev G.,
Nickolov Zh.,
Miteva M.
Publication year - 1989
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/jrs.1250200203
Subject(s) - intramolecular force , chemistry , raman spectroscopy , spectral line , coupling constant , hydrogen bond , analytical chemistry (journal) , deconvolution , fermi resonance , atom (system on chip) , coupling (piping) , molecule , materials science , physics , stereochemistry , particle physics , chromatography , astronomy , computer science , optics , metallurgy , embedded system , organic chemistry
Abstract The OD stretching spectra of D 2 O for temperatures from 5 to 90°C and for concentrations (D 2 O in H 2 O) from 100 to 10 mol‐% were studied. These spectra were treated by means of the Fourier deconvolution technique for the first time. Using the positions of the resolved components the coupling constants for intra‐ and inter‐molecular and Fermi resonance interactions and all parameters according to the presented model, for all investigated temperatures, were evaluated. A gradual decrease in all interactions was observed in the concentration study, in accordance with expectations and in agreement with the results for dilute solutions of H 2 O in D 2 O. The temperature behaviour of the coupling constants and other parameters were in accordance with the corresponding data for H 2 O. The only exception is the temperature behaviour of the intramolecular coupling constant. The greater mass of the D atom is one of the probable reasons that lead to the smaller sensitivity of OD frequency to the hydrogen bond fluctuations. All the results verify the assignments and assumptions made according to the model presented and support the continuous model for the water structure.