Solvation State of Nicotinamide in Binary Solvents by 13C NMR Probing at Different Temperatures


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Аннотация

Solvation state of pyridine-3-carboxamide (nicotinamide) was studied by means of different temperature nuclear magnetic resonance spectroscopy at different compositions of water–dimethyl sulfoxide solvent. The breaking of hydrogen bonds between heteronitrogen and water molecules takes place at XDMSO ~ 0.2–0.3 m.f. Changes in carboxamide substituent solvation consisting in the disappearance of water molecules occur at XDMSO ~ 0.4 m.f. The quantum chemical modeling of some nicotinamide solvates was performed along with NBO analysis and chemical shift calculations.

Авторлар туралы

V. Aleksandriiskii

Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology; Institute of Solution Chemistry, Russian Academy of Science

Email: injures@yandex.ru
Ресей, Ivanovo; Ivanovo

G. Gamov

Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology

Хат алмасуға жауапты Автор.
Email: injures@yandex.ru
Ресей, Ivanovo

S. Dushina

Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology

Email: injures@yandex.ru
Ресей, Ivanovo

V. Sharnin

Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology; Institute of Solution Chemistry, Russian Academy of Science

Email: injures@yandex.ru
Ресей, Ivanovo; Ivanovo

M. Zavalishin

Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology

Email: injures@yandex.ru
Ресей, Ivanovo

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© Springer-Verlag Wien, 2016