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Oxidative transformations in the VV/H2O2/RCOOH system

Alexander Alexandrovich Markov 1
Alexander Alexandrovich Markov
, 
Sergey Petrovich Dolin 1
Sergey Petrovich Dolin
, 
Natalia Il'inichna Moiseeva 1
Natalia Il'inichna Moiseeva
, 
Alexander Efimovitch Gekhman 1
Alexander Efimovitch Gekhman
, 
Ilya Iosifovich Moiseev 1
Ilya Iosifovich Moiseev
10.1016/j.mencom.2009.07.001
Published 2009-07-03
Focus article , Volume 19, Issue 4, 175-181
5
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Markov A. A. et al. Oxidative transformations in the VV/H2O2/RCOOH system // Mendeleev Communications. 2009. Vol. 19. No. 4. pp. 175-181.
GOST all authors (up to 50) Copy
Markov A. A., Dolin S. P., Moiseeva N. I., Gekhman A. E., Moiseev I. I. Oxidative transformations in the VV/H2O2/RCOOH system // Mendeleev Communications. 2009. Vol. 19. No. 4. pp. 175-181.
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TY - JOUR
DO - 10.1016/j.mencom.2009.07.001
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2009.07.001
TI - Oxidative transformations in the VV/H2O2/RCOOH system
T2 - Mendeleev Communications
AU - Markov, Alexander Alexandrovich
AU - Dolin, Sergey Petrovich
AU - Moiseeva, Natalia Il'inichna
AU - Gekhman, Alexander Efimovitch
AU - Moiseev, Ilya Iosifovich
PY - 2009
DA - 2009/07/03
PB - Mendeleev Communications
SP - 175-181
IS - 4
VL - 19
ER -
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@article{2009_Markov,
author = {Alexander Alexandrovich Markov and Sergey Petrovich Dolin and Natalia Il'inichna Moiseeva and Alexander Efimovitch Gekhman and Ilya Iosifovich Moiseev},
title = {Oxidative transformations in the VV/H2O2/RCOOH system},
journal = {Mendeleev Communications},
year = {2009},
volume = {19},
publisher = {Mendeleev Communications},
month = {Jul},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2009.07.001},
number = {4},
pages = {175--181},
doi = {10.1016/j.mencom.2009.07.001}
}
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Markov, Alexander Alexandrovich, et al. “Oxidative transformations in the VV/H2O2/RCOOH system.” Mendeleev Communications, vol. 19, no. 4, Jul. 2009, pp. 175-181. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2009.07.001.
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Abstract

In order to reveal the nature of intermediates of peroxide oxidation catalysed by vanadium compounds, the inner-sphere transformations of vanadium(V) peroxo complexes with the general formula [VO6]– has been studied in approximations of the density functional theory (B3LYP/6-31G**) and Møller–Plesset perturbation theory (MP2/6-31G**). It has been found that the triperoxo complex [V(η–O2)3]– undergoes isomerization to a complex that is unexpectedly more stable, [V(=O)(η–O2)(O3)]–, which incorporates an O3 group as a bidentate ligand. This reaction was found to occur via two intermediate complexes that can transfer both singlet dioxygen and an oxygen atom to a substrate molecule. The reaction scheme proposed on the basis of calculations is in qualitative agreement with the previously obtained kinetic regularities of ozone formation and oxidation of alkanes, alkenes, arenes and singlet dioxygen acceptors in the VV/H2O2/RCOOH catalytic system.

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