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 | |
| 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
Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry. / Poleshchuk, O. Kh; Egorov, N. B.; Akimov, D. V.; Zherin, I. I.; Zhuravlev, N. A.
IOP Conference Series: Materials Science and Engineering. Vol. 112 1. ed. Institute of Physics Publishing, 2016. 012005.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
}
TY - GEN
T1 - Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry
AU - Poleshchuk, O. Kh
AU - Egorov, N. B.
AU - Akimov, D. V.
AU - Zherin, I. I.
AU - Zhuravlev, N. A.
PY - 2016/2/18
Y1 - 2016/2/18
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=84964614153&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84964614153&partnerID=8YFLogxK
U2 - 10.1088/1757-899X/112/1/012005
DO - 10.1088/1757-899X/112/1/012005
M3 - Conference contribution
VL - 112
BT - IOP Conference Series: Materials Science and Engineering
PB - Institute of Physics Publishing
ER -