Packing polymorphism effect on modified glycine IR spectrum
Pavel A. Zhulidin 1, Pavel D. Filin 1, Inna L. Plastun 1, Ruslan Yu. Yakovlev 2. 1 Gagarin Saratov State Technical University, Russia, 2 LLC "Smart Polymorph Technologies", Moscow, Russia
Abstract
The article provides an explanation of change of physico-chemical and spectral characteristics of glycine, which have arisen due to its modification. Experimentally measured of glycine infrared (IR) spectrum have been compared to spectra calculated using methods of density functional theory using the B3LYP function and the 6-31G (D) base set. The influence of polymorphic modifications of glycine after the procedure of re-crystallization has been analyzed. The article assesses influence of packaging polymorphism on change of spectral characteristics and modified glycine.
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Pavel A. Zhulidin
Gagarin Saratov State Technical University
Russia
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