Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry

2nd International Symposium on Fundamental Aspects of Rare-earth Elements Mining and Separation and Modern Materials Engineering

材料科学;物理学

Poleshchuk, O Kh^1,2 ; Egorov, N.B.^1 ; Akimov, D.V.^1 ; Zherin, I.I.^1 ; Zhuravlev, N.A.^1

National Research Tomsk Polytechnic University, 30 Lenina ave., Tomsk

634050, Russia^1

Tomsk State Pedagogical University, 60 Kievskaya street, Tomsk

634061, Russia^2

关键词: IR and Raman spectra;    Isotopic shift;    Quantum chemical calculations;    Sulfur isotope;    Thermodynamic parameter;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/112/1/012005/pdf
DOI  :  10.1088/1757-899X/112/1/012005

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

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.