Enviar artigo por via de e-mail Solvation State of Nicotinamide in Binary Solvents by 13C NMR Probing at Different Temperatures
- Autores: Aleksandriiskii V.1,2, Gamov G.1, Dushina S.1, Sharnin V.1,2, Zavalishin M.1
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Afiliações:
- Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology
- Institute of Solution Chemistry, Russian Academy of Science
- Edição: Volume 47, Nº 3 (2016)
- Páginas: 349-359
- Seção: Article
- URL: https://journals.rcsi.science/0937-9347/article/view/247451
- DOI: https://doi.org/10.1007/s00723-016-0760-1
- ID: 247451
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Resumo
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.
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Sobre autores
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
Rússia, Ivanovo; Ivanovo
G. Gamov
Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology
Autor responsável pela correspondência
Email: injures@yandex.ru
Rússia, Ivanovo
S. Dushina
Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology
Email: injures@yandex.ru
Rússia, 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
Rússia, Ivanovo; Ivanovo
M. Zavalishin
Research Institute of Thermodynamics and Kinetics of Chemical Processes, Ivanovo State University of Chemistry and Technology
Email: injures@yandex.ru
Rússia, Ivanovo
