
The thesis aims at the study of conformation of a dimethyl tartrate molecule using the methods of vibrational optical activity (VOA), namely vibrational circular dichroism (VCD) and Raman optical activity (ROA). Based on the theoretical background of both VOA methods and current state of research of the studied molecule there was a sample of dimethyl tartrate dissolved in different solvents and its properties were measured using VCD and ROA spectrometers. In addition to the experiment, ab initio calculations were carried out in order to compare calculated and experimental spectra. Based on the comparison, the possible conformations present in water solution of the studied molecule are described in detail.
Ramanova optická aktivita; dimethyl tartrate; vibrational circular dichroism; ab initio spektrálne simulácie; vibrační cirkulární dichroismus; Raman optical activity; ab initio spectral simulations
Ramanova optická aktivita; dimethyl tartrate; vibrational circular dichroism; ab initio spektrálne simulácie; vibrační cirkulární dichroismus; Raman optical activity; ab initio spectral simulations
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