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Quantum-chemical modeling of the oxidation of Auiii hydride complexes by hydrogen peroxide

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Alexander Fedorovich Shestakov 1
Alexander Fedorovich Shestakov
10.1016/j.mencom.2017.03.012
Published 2017-02-27
Communication , Volume 27, Issue 2, 144-146
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Nikitenko N. G., Shestakov A. F. Quantum-chemical modeling of the oxidation of Auiii hydride complexes by hydrogen peroxide // Mendeleev Communications. 2017. Vol. 27. No. 2. pp. 144-146.
GOST all authors (up to 50) Copy
Nikitenko N. G., Shestakov A. F. Quantum-chemical modeling of the oxidation of Auiii hydride complexes by hydrogen peroxide // Mendeleev Communications. 2017. Vol. 27. No. 2. pp. 144-146.
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TY - JOUR
DO - 10.1016/j.mencom.2017.03.012
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.03.012
TI - Quantum-chemical modeling of the oxidation of Auiii hydride complexes by hydrogen peroxide
T2 - Mendeleev Communications
AU - Nikitenko, Natalya Gennadievna
AU - Shestakov, Alexander Fedorovich
PY - 2017
DA - 2017/02/27
PB - Mendeleev Communications
SP - 144-146
IS - 2
VL - 27
ER -
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@article{2017_Nikitenko,
author = {Natalya Gennadievna Nikitenko and Alexander Fedorovich Shestakov},
title = {Quantum-chemical modeling of the oxidation of Auiii hydride complexes by hydrogen peroxide},
journal = {Mendeleev Communications},
year = {2017},
volume = {27},
publisher = {Mendeleev Communications},
month = {Feb},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.03.012},
number = {2},
pages = {144--146},
doi = {10.1016/j.mencom.2017.03.012}
}
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Nikitenko, Natalya Gennadievna, and Alexander Fedorovich Shestakov. “Quantum-chemical modeling of the oxidation of Auiii hydride complexes by hydrogen peroxide.” Mendeleev Communications, vol. 27, no. 2, Feb. 2017, pp. 144-146. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2017.03.012.

Abstract

According to quantum chemical calculations, the interaction of a thermally stable Auiii hydride complex with H2O2 leads to the formation of an Auiii hydroxyl complex in one stage with a low activation barrier and a significant energy decrease.

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