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http://hdl.handle.net/123456789/2965
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DC Field | Value | Language |
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dc.contributor.author | Singh, Sanjay | - |
dc.date.accessioned | 2020-12-10T07:44:47Z | - |
dc.date.available | 2020-12-10T07:44:47Z | - |
dc.date.issued | 2014 | - |
dc.identifier.citation | Polyhedron,73, pp.98-109. | en_US |
dc.identifier.other | https://doi.org/10.1016/j.poly.2014.02.029 | - |
dc.identifier.uri | https://www.sciencedirect.com/science/article/pii/S0277538714001053?via%3Dihub | - |
dc.identifier.uri | http://hdl.handle.net/123456789/2965 | - |
dc.description | Only IISERM authors are available in the record. | - |
dc.description.abstract | The ligand 4-phenyl(2-methoxybenzoyl)-3-thiosemicarbazide (Hpmt), forms isostructural [Mn(pmt)2(o-phen)] (1) and [Zn(pmt)2(o-phen) ] (2) complexes containing o-phen as coligand which have been characterized by analytical, spectroscopic (IR, UV-Vis, NMR), magnetic susceptibility, TGA and single crystal X-ray data. Both complexes crystallize in monoclinic systems with the space group P2/n. The complexes have distorted octahedral geometry around the metal center. The ligand in the complexes is coordinated through the deprotonated hydrazinic nitrogen and carbonyl oxygen. The hydrazinic nitrogen coordinates with a shorter M-N distance than the o-phen nitrogen and bond lengths in the chelate ring systems are intermediate between single and double bond distances, suggesting considerable delocalization of charge. There is a good agreement between the geometrical parameters obtained by X-ray crystallography to those generated by DFT method. The thermal degradations of complexes 1 and 2 have been investigated by thermogravimetric analyses which indicate that the final residues left are Mn(NCO)2 and Zn(NCSNH) 2. The small HOMO-LUMO energy gap suggests low excitation energy for the complexes. | en_US |
dc.language.iso | en | en_US |
dc.publisher | Elsevier | en_US |
dc.subject | DFT | en_US |
dc.subject | Thiosemicarbazide | en_US |
dc.subject | Mn(II) and Zn(II) complexes | en_US |
dc.subject | Crystal structure | en_US |
dc.subject | Supramolecular architecture | en_US |
dc.subject | TGA | en_US |
dc.title | Manganese(II) and zinc(II) complexes of 4-phenyl(2-methoxybenzoyl)-3-thiosemicarbazide: Synthesis, spectral, structural characterization, thermal behavior and DFT study | en_US |
dc.type | Article | en_US |
Appears in Collections: | Research Articles |
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