Proceedings of The XXVI Annual International Conference "Saratov Fall Meeting 2022", September 26-30, 2022, Saratov, Russia
Biophotonics

The effect of recrystallization on the IR spectrum of modified glycine

I. L. Plastun^a, P. A. Zhulidin^a, P. D. Filin^a, R. Yu. Yakovlev<sup>b

a</sup> Yuri Gagarin State Technical University of Saratov
^b Nauchny Tsentr RTA LLC 121205 Moscow, Russia

Abstract: An explanation is given for the change in the physicochemical and spectral characteristics of glycine resulted from its modification. The experimentally measured infrared (IR) spectra of glycine were compared with the spectra calculated by the methods of the density functional theory. The effect of single water molecules associated with glycine after the recrystallization procedure was analyzed. The effect of hydrogen bonding on the change in the spectral characteristics and physicochemical properties of modified glycine is evaluated.

Keywords: glycine, molecular modeling, IR spectrum, density functional theory, hydrogen bonds, cryochemical recrystallization, experimental measurements.

Received: 28.12.2022
Revised: 16.02.2023
Accepted: 21.02.2023

DOI: 10.21883/OS.2023.06.55918.118-23

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