The N,N-diethylcarbamates NbE(O2CNEt2)3, E = O, S, have been prepared in high yields by treating NbOCl3 or NbSCl3(CH3CN)2 with CO2/NHEt2 in toluene at ca. 10 °C. The products have been characterized by spectroscopic techniques, elemental analysis and by X-ray diffractometry in the case of NbO(O2CNEt2)3. The molecular structure of the latter consists of a niobium centre coordinated to the oxo moiety and six O-atoms belonging to bridging and bidentate carbamates, in a slightly distorted pentagonal bipyramidal arrangement. The structures of both NbE(O2CNEt2)3 compounds have been reproduced by DFT calculations, showing substantial similarity despite the different nature of the chalcogen atom.

Oxido- and Sulfidoniobium(V) N,N-Diethylcarbamates: Synthesis, Characterization and DFT Study

MARCHETTI, FABIO;PAMPALONI, GUIDO;
2013

Abstract

The N,N-diethylcarbamates NbE(O2CNEt2)3, E = O, S, have been prepared in high yields by treating NbOCl3 or NbSCl3(CH3CN)2 with CO2/NHEt2 in toluene at ca. 10 °C. The products have been characterized by spectroscopic techniques, elemental analysis and by X-ray diffractometry in the case of NbO(O2CNEt2)3. The molecular structure of the latter consists of a niobium centre coordinated to the oxo moiety and six O-atoms belonging to bridging and bidentate carbamates, in a slightly distorted pentagonal bipyramidal arrangement. The structures of both NbE(O2CNEt2)3 compounds have been reproduced by DFT calculations, showing substantial similarity despite the different nature of the chalcogen atom.
Bortoluzzi, M; Ghini, F; Hayatifar, M; Marchetti, Fabio; Pampaloni, Guido; Zacchini, S.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/219131
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