Stability of H‐complexes of nicotinamide nitrogen heteroatom with water and ethanol in mixed solvents by 13C NMR probing |
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| Authors: | V A Sharnin V V Aleksandriysky S V Dushina G A Gamov |
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| Institution: | 1. Ivanovo State University of Chemistry and Technology, , 153000 Ivanovo, Russian Federation;2. Institute of Solution Chemistry, Russian Academy of Sciences, , 153000 Ivanovo, Russian Federation |
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| Abstract: | The formation constants of the nicotinamide H‐complexes with protonic solvents such as water and ethanol in aqueous dimethyl sulfoxide and aqueous ethanol were determined using 13C NMR data. Free Gibbs energy of nicotinamide donor center (nitrogen heteroatom) solvation was calculated. Gibbs energy of entire nicotinamide molecule solvation was shown to be antibate towards Gibbs energy of a pyridine nitrogen solvation. The solvation state of this molecule fragment must be taken into consideration when analyzing the reagents contributions in the thermodynamics of complexation. Copyright © 2013 John Wiley & Sons, Ltd. |
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| Keywords: | H‐complex solvation nicotinamide 13C NMR 1H NMR 15N NMR 2D HMBC stability constant transfer Gibbs energy |
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