期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 117, 期 -, 页码 1-8出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2013.07.074
关键词
Mn(II) and Cu(II) complexes; Thiosemicarbazone; Spectral characterization; Ths molecular modelling; Mycological studies
类别
资金
- UGC, New Delhi
Complexes of manganese(II) and copper(II) of general composition M(L)(2)X-2 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. (C) 2013 Elsevier B.V. All rights reserved.
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