Oxidoperoxidomolybdenum(VI) complexes involving 4-formyl-3-methyl-1-phenyl-2-pyrazoline-5-one and some β-diketoenolates
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- 作者：R. C. Maurya ; P. K. Vishwakarma ; J. M. Mir…
- 关键词：Oxidoperoxidomolybdenum(VI) ; DFT ; Thermogravimetry
- 刊名：Journal of Thermal Analysis and Calorimetry
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：124
- 期：1
- 页码：57-70
- 全文大小：1,776 KB
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P. K. Vishwakarma (1)
J. M. Mir (1)
D. K. Rajak (1)
1. Coordination, Bioinorganic and Computational Chemistry Laboratory, Department of P. G. Studies and Research in Chemistry & Pharmacy, R. D. University, Jabalpur, 482001, India - 刊物类别：Chemistry and Materials Science
- 刊物主题：Chemistry
Sciences
Polymer Sciences
Physical Chemistry
Inorganic Chemistry
Measurement Science and Instrumentation - 出版者：Akad茅miai Kiad贸, co-published with Springer Science+Business Media B.V., Formerly Kluwer Academic
- ISSN：1572-8943
文摘
Five new oxidoperoxidomolybdenum(VI) complexes of the general composition [MoO(O2)(fmphp)(L)], where fmphpH = 4-formyl-3-methyl-1-phenyl-2-pyrazoline-5-one and LH = acetylacetone, methyl acetoacetate, benzoylacetone, acetoacetanilide or o-acetotoluidide, have been synthesized by the interaction of [MoO(O2)]2+ (obtained in situ during the interaction of MoO3 and 30 % H2O2 on continuous stirring at 50 °C for 24 h) and the said ligands in aqueous-ethanol medium. The complexes were characterized by physicochemical analyses involving magnetic measurements, infrared, electronic, mass spectral and thermal studies. Besides applying experimental spectroscopic techniques, theoretical data calculated using density functional theory (DFT) by B3LYP/LANL2DZ have also been used for structural determination. In addition to an optimized geometry with no imaginary frequency, the computed spectral data have been found in an excellent agreement with the experimental results. Thermo-gravimetric (TG) curve was used to arrive at the insights of thermal stability of one of the synthesized complexes. From overall studies, suitable heptacoordinate pseudo-pentagonal bipyramidal geometry has been found for the title compounds.