NDLI: Experimental and Theoretical Study of the Raman Spectra of Ammonium Thiosulfate Solution

Content Provider	Springer Nature Link
Author	Sun, S. Cai, T. Liu, Y. Wang, J.
Copyright Year	2015
Abstract	The Raman spectra of ammonium thiosulfate solution have been experimentally measured and several typical Raman peaks of S $_{2}$ o 3 2 − in ammonium thiosulfate solution were observed. We found that there is a linear relationship between the concentration of S $_{2}$ o 3 2 − and the corresponding intensity and area of the Raman peaks. To study the possible effect of intermolecular hydrogen bonds on the vibration of S $_{2}$ o 3 2 − , its Raman spectra were calculated using the Hartree–Fock Hamiltonian with the 6-31+G(d) basis set in the gas phase, hydrated phase (simulating intermolecular hydrogen bonds by adding two water molecules), and by the self-consistent reaction field model (SCRF). The study shows that in the gas and hydrated phases, the wavenumbers of peaks in the Raman spectra are in good agreement with the experimental values in the low-frequency region, and there is a red shift in the highfrequency region. In contrast, in both the low and high-frequency regions, the wavenumbers in the SCRF model are closer to the experimental values than those in the former two phases. This shows that the SCRF model is most suitable for the calculation of the Raman spectra of S $_{2}$ o 3 2 − in ammonium thiosulfate solution.
Starting Page	182
Ending Page	187
Page Count	6
File Format	PDF
ISSN	00219037
Journal	Journal of Applied Spectroscopy
Volume Number	82
Issue Number	2
e-ISSN	15738647
Language	English
Publisher	Springer US
Publisher Date	2015-05-26
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Raman spectra Hartree–Fock thiosulfate hydrogen bonding self-consistent reaction field Atomic/Molecular Structure and Spectra Analytical Chemistry
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Condensed Matter Physics

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