期刊
MAIN GROUP CHEMISTRY
卷 7, 期 1, 页码 43-56出版社
IOS PRESS
DOI: 10.1080/10241220801912637
关键词
Chrysin; Molecular mechanics; Density functional theory; H-1 NMR; UV-Vis
资金
- CSIR
The interaction of trivalent lanthanide chlorides and chrysin in methanol results in formation of the complexes [Ln(chrysin)(3)], where Ln = La, Pr, Nd, Sm, Gd, Tb and Ho. The complexes have been characterized by elemental analyses, molar conductance, IR, UV-Vis, TGA/DTA and NMR spectroscopic studies. They behave as non-electrolytes in DMF solution. The TGA data indicated that the complexes were anhydrous. The electronic spectra of the complexes were recorded in methanol DMF and DMSO solutions. H-1 NMR spectra of lanthanum, praseodymium, neodymium, samarium and gadolinium complexes have been studied in DMSO-d(6). H-1 NMR spectra of paramagnetic and diamagnetic complexes exhibit down-field as well as up-field shifts of chrysin resonances that shows a change in geometry during the ligand coordination to the metal ion. A theoretical study of the chrysin molecule was conducted through DFT, ab initio, and AM1 methods and this determined the coordination environment of the metal ions.
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