Abstract
The preparation and catalytic activity of molybdenum(VI) dioxido complex
MoO2L(C2H5OH) (L = N'-1-(2-hydroxynaphthyl) ethylidene-2-hydroxy
benzohydrazide) are reported. The reaction of the respective
benzohydrazide ligand and the Mo(VI) dioxido precursor, MoO2(acac)
(acac = acetylacetonate), in ethanol afforded the MoO2L(C2H5OH)
complex. Structure of the complex was unequivocally established by
single-crystal X-ray crystallography. The X-ray structure of complex
reveals a six coordinate molybdenum center with a distorted octahedral
geometry. By using the AIM analysis, topological properties of the
electron density were analyzed to define the bond path between atoms.
The AIM calculations indicate that the ligand H2L coordinates to the
molybdenum ion in the enol-enamine form (not keto-amine). An insight in
the electronic structure of the complex was also obtained by using the
density functional theory (DFT). The MoO2L(C2H5OH) complex was
successfully applied as a catalyst in both, the epoxidation of olefins
with tert-butyl hydroperoxide (TBHP) and the oxidation of sulfides with
urea hydrogen peroxide (UHP), to form the corresponding sulfoxides. (C)
2013 Elsevier B. V. All rights reserved.
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