Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry

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.