Title of article
Interactions between indazole derivative and magnesium cations – NMR investigations and theoretical calculations
Author/Authors
Kujawski، نويسنده , , Jacek and Doskocz، نويسنده , , Marek and Popielarska، نويسنده , , Hanna and Myka، نويسنده , , Anna and Drabi?ska، نويسنده , , Beata and Kruk، نويسنده , , Joanna and Bernard، نويسنده , , Marek K.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
10
From page
292
To page
301
Abstract
The paper describes a new NMR approach for the determination of interaction sites between a heterocyclic ligand, like indazole, and magnesium ions. The method is based on the comparison of chemical shifts of indazole derivative before and after complexation with magnesium salt and is supported by DFT (B3LYP/6-31G(d,p) level of theory, solvent model PCM, IGLO-II basis set) theoretical calculations.
Keywords
Magnesium cation complexation , NMR spectroscopy , DFT calculations , Indazole derivatives
Journal title
Journal of Molecular Structure
Serial Year
2013
Journal title
Journal of Molecular Structure
Record number
1974195
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