Effect of crystal modification on the spectral characteristics of chromium picolinate
Pavel D. Filin1
Inna L. Plastun1
1Yuri Gagarin State Technical University of Saratov
Abstract
The effect of crystal polymorphism on the IR spectral features of chromium(III) picolinate was studied by combined experimental measurements and DFT calculations at the wB97X-D3 functional def2-TZVPD basis level. Unlike traditional dimeric models, the spectral contributions of zinc biglycinate and zinc acetate co-formers were evaluated. Comparative analysis of theoretical and experimental frequencies reveals that crystal modification significantly alters hydrogen-bonding networks, which in turn affects the electronic structure and recrystallization behavior of the complex.
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Pavel Filin
Yuri Gagarin State Technical University of Saratov
Russia
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