Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry

O. Kh Poleshchuk, N. B. Egorov, D. V. Akimov, I. I. Zherin, N. A. Zhuravlev

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Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

The results show the dependence of the experimental and calculated frequencies in the IR- and Raman spectra from the molecular mass of the sulfur isotope. The effect of a sulfur isotope shifts on the change of thermodynamic parameters. The results obtained demonstrate that the quantum-chemical calculations are sensitive to the isotopic shifts in the vibrational spectra of sulfur isotopes and are able to assess changes in their thermodynamic properties.

Original language	English
Title of host publication	IOP Conference Series: Materials Science and Engineering
Publisher	Institute of Physics Publishing
Volume	112
Edition	1
DOIs	https://doi.org/10.1088/1757-899X/112/1/012005
Publication status	Published - 18 Feb 2016
Event	2nd International Symposium on Fundamental Aspects of Rare-Earth Elements Mining and Separation and Modern Materials Engineering, REES 2015 - Belokuriha, Altay, Russian Federation Duration: 7 Sep 2015 → 15 Sep 2015

Other

Other	2nd International Symposium on Fundamental Aspects of Rare-Earth Elements Mining and Separation and Modern Materials Engineering, REES 2015
Country	Russian Federation
City	Belokuriha, Altay
Period	7.9.15 → 15.9.15

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ASJC Scopus subject areas

Engineering(all)
Materials Science(all)

Cite this

Poleshchuk, O. K., Egorov, N. B., Akimov, D. V., Zherin, I. I., & Zhuravlev, N. A. (2016). Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry. In IOP Conference Series: Materials Science and Engineering (1 ed., Vol. 112). [012005] Institute of Physics Publishing. https://doi.org/10.1088/1757-899X/112/1/012005

Poleshchuk, OK, Egorov, NB, Akimov, DV, Zherin, II & Zhuravlev, NA 2016, Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry. in IOP Conference Series: Materials Science and Engineering. 1 edn, vol. 112, 012005, Institute of Physics Publishing, 2nd International Symposium on Fundamental Aspects of Rare-Earth Elements Mining and Separation and Modern Materials Engineering, REES 2015, Belokuriha, Altay, Russian Federation, 7.9.15. https://doi.org/10.1088/1757-899X/112/1/012005

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author = "Poleshchuk, {O. Kh} and Egorov, {N. B.} and Akimov, {D. V.} and Zherin, {I. I.} and Zhuravlev, {N. A.}",

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AU - Egorov, N. B.

AU - Akimov, D. V.

AU - Zherin, I. I.

AU - Zhuravlev, N. A.

PY - 2016/2/18

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AB - The results show the dependence of the experimental and calculated frequencies in the IR- and Raman spectra from the molecular mass of the sulfur isotope. The effect of a sulfur isotope shifts on the change of thermodynamic parameters. The results obtained demonstrate that the quantum-chemical calculations are sensitive to the isotopic shifts in the vibrational spectra of sulfur isotopes and are able to assess changes in their thermodynamic properties.

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U2 - 10.1088/1757-899X/112/1/012005

DO - 10.1088/1757-899X/112/1/012005

M3 - Conference contribution

AN - SCOPUS:84964614153

VL - 112

BT - IOP Conference Series: Materials Science and Engineering

PB - Institute of Physics Publishing

T2 - 2nd International Symposium on Fundamental Aspects of Rare-Earth Elements Mining and Separation and Modern Materials Engineering, REES 2015

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Access to Document

10.1088/1757-899X/112/1/012005