Please use this identifier to cite or link to this item: http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/5190
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dc.contributor.authorUpadhyay, Apoorvaen_US
dc.contributor.authorVaidya, Shefalien_US
dc.contributor.authorVenkatasai, Vakacharla S.en_US
dc.contributor.authorJayapal, Prabhaen_US
dc.contributor.authorSRIVASTAVA, ANANT K.en_US
dc.contributor.authorShanmugam, Muralidharanen_US
dc.contributor.authorShanmugam, Maheswaranen_US
dc.date.accessioned2020-10-19T08:59:39Z-
dc.date.available2020-10-19T08:59:39Z-
dc.date.issued2013-12en_US
dc.identifier.citationPolyhedron, 66, 87-96.en_US
dc.identifier.issn0277-5387en_US
dc.identifier.urihttp://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/5190-
dc.identifier.urihttps://doi.org/10.1016/j.poly.2013.02.039en_US
dc.description.abstractSquare 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.en_US
dc.language.isoenen_US
dc.publisherElsevier B.V.en_US
dc.subjectSchiff baseen_US
dc.subjectLanthanide ionen_US
dc.subjectTransition metal complexen_US
dc.subjectEPR; DFT and TD-DFT calculationsen_US
dc.subject2013en_US
dc.titleSynthesis and characterization of 3d and 4f metal complexes of Schiff base ligandsen_US
dc.typeArticleen_US
dc.contributor.departmentDept. of Chemistryen_US
dc.identifier.sourcetitlePolyhedronen_US
dc.publication.originofpublisherForeignen_US
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