Synthesis and characterization of 3d and 4f metal complexes of Schiff base ligands

Reported square planar complexes of Cu(II) and Ni(II) Schiff base complexes and studied their electronic structure by UV–Vis and EPR spectroscopy which is supported by DFT calculations. In addition the coordination potential of these Schiff bases is explored with lanthanide ions. Square planar compl...

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Bibliographic Details
Published in:	Polyhedron 2013-12, Vol.66, p.87-96
Main Authors:	Upadhyay, Apoorva, Vaidya, Shefali, Venkatasai, Vakacharla S., Jayapal, Prabha, Srivastava, Anant K., Shanmugam, Muralidharan, Shanmugam, Maheswaran
Format:	Article
Language:	eng
Subjects:	DFT and TD-DFT calculations EPR Lanthanide ion Schiff base Transition metal complex
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Summary:	Reported square planar complexes of Cu(II) and Ni(II) Schiff base complexes and studied their electronic structure by UV–Vis and EPR spectroscopy which is supported by DFT calculations. In addition the coordination potential of these Schiff bases is explored with lanthanide ions. Square planar complexes of monomeric [Cu(L1)2] (1) and [Ni(L1)2] (2) (where L1 is C20H24NO2) are isolated through the use of Schiff base ligands and characterized by X-ray diffraction, UV–Vis, electron paramagnetic resonance (EPR) and DFT calculations. Effects of coordinating and non-coordinating solvent for 1 and 2 (UV–Vis) were studied in detail. The EPR spectra recorded for 1, confirms the rhombic nature of Cu(II) ion of 1 in the solid state, g=[2.185, 2.086, 2.036], and frozen fluid with the spin Hamiltonian parameters, g=[2.207, 2.079, 2.040]. The slight deviation in the g-tensor of 1 from its powder to frozen solution is attributed to the loss of intermolecular hydrogen bonding in fluid solution. UV–Vis (for 1 and 2) and EPR (for 1) parameters obtained from DFT calculations are consistent with the experimental data, and further confirms that the solid state structures of 1 and 2 are maintained in solution. Crystal structures of praseodymium and lanthanum monomeric complexes obtained with HL2 (C14H11NO2) are also reported. The X-ray crystal structure of the praseodymium complex solved in an orthorhombic crystal system with molecular formula [Pr(HL2)2(NO3)3] (3), whereas lanthanum in a triclinic system with molecular formula [La(HL2)3(NO3)3] (4) with multiple intermolecular hydrogen bonds. Complexes 3 and 4 are found to be in distorted bicapped square anti-prism and Icosahedron geometries respectively.
ISSN:	0277-5387