Paramagnetic NMR shift, spectroscopic and molecular modeling studies of lanthanide(III)-morin complexes

Abstract

Studies on nine-coordinate lanthanide complexes of morin are described. The complexes were characterized by elemental analysis, molar conductance, UV–Vis spectra, IR spectra, thermal analysis and NMR spectra. Molecular modeling studies were also carried out. The complexes are non-electrolytes in DMSO. TGA showed anhydrous nature of the complexes. The electronic spectra of the complexes were recorded in methanol. ¹H NMR spectra of lanthanum, praseodymium, neodymium, samarium and dysprosium complexes have been studied in DMSO-d₆. The complexes do not dissociate in DMSO and retain their coordination. ¹H NMR spectra of paramagnetic and diamagnetic complexes exhibit downfield as well as upfield shifts of morin resonances that shows change in geometry during coordination.

Keywords:

• Morin
• Molecular mechanics
• Density functional theory
• Paramagnetic shift

Acknowledgement

Author (A.A.A) thanks CSIR for financial support which is gratefully acknowledged.