title: Mn(II) and Cu(II) complexes of a bidentate Schiff's base ligand: spectral, thermal, molecular modelling and mycological studies.
abstract: Complexes of manganese(II) and copper(II) of general composition M(L)2X2 have been synthesized [L=2-acetyl thiophene thiosemicarbazone and X=Cl(-) and NO3(-)]. The elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, IR, UV, NMR and EPR spectral studies of the compounds led to the conclusion that the ligand acts as a bidentate manner. The Schiff's base ligand forms hexacoordinated complexes having octahedral geometry for Mn(II) and tetragonal geometry for Cu(II) complexes. The thermal studies suggested that the complexes are more stable as compared to ligand. In molecular modelling the geometries of Schiff's base and metal complexes were fully optimized with respect to the energy using the 6-31g(d,p) basis set. The mycological studies of the compounds were examined against the plant pathogenic fungi i.e. Rhizoctonia bataticola, Macrophomina phaseolina, Fusarium odum.
authors: Department of Chemistry, Zakir Husain Delhi College, University of Delhi, JLN-Marg, New Delhi 110002, India. Electronic address: mnk02tyg@yahoo.co.in.
authors: Monika
authors: M
authors: Tyagi
authors: Sulekh
authors: S
authors: Chandra
authors: Prateek
authors: P
authors: Tyagi
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry* / Q000378:metabolism; D003300:Copper / Q000737:chemistry* / Q000378:metabolism; D004578:Electron Spin Resonance Spectroscopy; D005658:Fungi / Q000187:drug effects* / Q000254:growth & development; D009682:Magnetic Resonance Spectroscopy; D008345:Manganese / Q000737:chemistry* / Q000378:metabolism; D013058:Mass Spectrometry; D008956:Models, Chemical; D008958:Models, Molecular; D012545:Schiff Bases / Q000737:chemistry*; D013055:Spectrophotometry, Infrared
chemical_list: D056831:Coordination Complexes; D012545:Schiff Bases; D008345:Manganese; D003300:Copper
keywords: Mn(II) and Cu(II) complexes; Mycological studies; Spectral characterization; Thiosemicarbazone; Ths molecular modelling