Home / Publications / Computational electrochemistry of diarylnitroxides

Computational electrochemistry of diarylnitroxides

Oleg Alexandrovich Levitskiy 1
Oleg Alexandrovich Levitskiy
, 
Tatyana Vladimirovna Magdesieva 1
Tatyana Vladimirovna Magdesieva
10.1016/j.mencom.2018.03.026
Published 2018-03-01
Communication , Volume 28, Issue 2, 187-189
7
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Levitskiy O. A., Magdesieva T. V. Computational electrochemistry of diarylnitroxides // Mendeleev Communications. 2018. Vol. 28. No. 2. pp. 187-189.
GOST all authors (up to 50) Copy
Levitskiy O. A., Magdesieva T. V. Computational electrochemistry of diarylnitroxides // Mendeleev Communications. 2018. Vol. 28. No. 2. pp. 187-189.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2018.03.026
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.03.026
TI - Computational electrochemistry of diarylnitroxides
T2 - Mendeleev Communications
AU - Levitskiy, Oleg Alexandrovich
AU - Magdesieva, Tatyana Vladimirovna
PY - 2018
DA - 2018/03/01
PB - Mendeleev Communications
SP - 187-189
IS - 2
VL - 28
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2018_Levitskiy,
author = {Oleg Alexandrovich Levitskiy and Tatyana Vladimirovna Magdesieva},
title = {Computational electrochemistry of diarylnitroxides},
journal = {Mendeleev Communications},
year = {2018},
volume = {28},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.03.026},
number = {2},
pages = {187--189},
doi = {10.1016/j.mencom.2018.03.026}
}
MLA
Cite this
MLA Copy
Levitskiy, Oleg Alexandrovich, and Tatyana Vladimirovna Magdesieva. “Computational electrochemistry of diarylnitroxides.” Mendeleev Communications, vol. 28, no. 2, Mar. 2018, pp. 187-189. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2018.03.026.

Abstract

Based on a combination of a gas-phase DFT electronic structure calculation at PBE/L2 level implemented in the highly efficient ‘Priroda’ program package with consecutive fast solvation energy evaluation by continuum solvation model, a liable methodology has been developed for accurate calculation of the standard redox potentials for diarylnitroxides in acetonitrile solution.

References

2.
Organic Electrode Materials for Rechargeable Lithium Batteries
Liang Y., Tao Z., Chen J.
Advanced Energy Materials, 2012
3.
An All-Organic Non-aqueous Lithium-Ion Redox Flow Battery
Brushett F.R., Vaughey J.T., Jansen A.N.
Advanced Energy Materials, 2012
4.
10.1016/j.mencom.2018.03.026_bib0020
Suga
Stable Radicals: Fundamentals and Applied Aspects of Odd-Electron Compounds, 2010
5.
Rechargeable batteries with organic radical cathodes
Nakahara K., Iwasa S., Satoh M., Morioka Y., Iriyama J., Suguro M., Hasegawa E.
Chemical Physics Letters, 2002
6.
Organic radical battery: nitroxide polymers as a cathode-active material
Nishide H., Iwasa S., Pu Y., Suga T., Nakahara K., Satoh M.
Electrochimica Acta, 2004
7.
Toward Flexible Batteries
Nishide H., Oyaizu K.
Science, 2008
8.
Rechargeable molecular cluster batteries
Yoshikawa H., Kazama C., Awaga K., Satoh M., Wada J.
Chemical Communications, 2007
9.
Synthesis and Properties of DNA Complexes Containing 2,2,6,6-Tetramethyl-1-piperidinoxy (TEMPO) Moieties as Organic Radical Battery Materials
Qu J., Morita R., Satoh M., Wada J., Terakura F., Mizoguchi K., Ogata N., Masuda T.
Chemistry - A European Journal, 2008
10.
Twisting of diarylnitroxides: An efficient tool for redox tuning
Levitskiy O.A., Sentyurin V.V., Magdesieva T.V.
Electrochimica Acta, 2018
11.
Computational electrochemistry: prediction of liquid-phase reduction potentials.
Marenich A.V., Ho J., Coote M.L., Cramer C.J., Truhlar D.G.
Physical Chemistry Chemical Physics, 2014
12.
Electrochemistry and spectroelectrochemistry of nitroxyl free radicals
Fish J.R., Swarts S.G., Sevilla M.D., Malinski T.
The Journal of Physical Chemistry, 1988
13.
AM1-SM2 Calculations Model the Redox Potential of Nitroxyl Radicals Such as TEMPO
Rychnovsky S.D., Vaidyanathan R., Beauchamp T., Lin R., Farmer P.J.
Journal of Organic Chemistry, 1999
14.
Computational Design of Cyclic Nitroxides as Efficient Redox Mediators for Dye‐Sensitized Solar Cells
Gryn'ova G., Barakat J.M., Blinco J.P., Bottle S.E., Coote M.L.
Chemistry - A European Journal, 2012
15.
One-Electron Oxidation and Reduction Potentials of Nitroxide Antioxidants:  A Theoretical Study
Hodgson J.L., Namazian M., Bottle S.E., Coote M.L.
Journal of Physical Chemistry A, 2007
16.
Oxidation of nitroxyl radicals: electrochemical and computational studies
Shibuya M., Pichierri F., Tomizawa M., Nagasawa S., Suzuki I., Iwabuchi Y.
Tetrahedron Letters, 2012
17.
Experimental and Theoretical Studies of the Redox Potentials of Cyclic Nitroxides
Blinco J.P., Hodgson J.L., Morrow B.J., Walker J.R., Will G.D., Coote M.L., Bottle S.E.
Journal of Organic Chemistry, 2008
20.
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
Perdew J.P., Burke K., Ernzerhof M.
Physical Review Letters, 1997
23.
Electrochemical and spectroscopic measurements for stable nitroxyl radicals
Nakahara K., Iwasa S., Iriyama J., Morioka Y., Suguro M., Satoh M., Cairns E.J.
Electrochimica Acta, 2006
27.
Twisted Diarylnitroxides: An Efficient Route for Radical Stabilization
Levitskiy O.A., Eremin D.B., Bogdanov A.V., Magdesieva T.V.
European Journal of Organic Chemistry, 2017
29.
Copper-Assisted Amination of Boronic Acids for Synthesis of Bulky Diarylamines: Experimental and DFT Study
Levitskiy O.A., Grishin Y.K., Sentyurin V.V., Magdesieva T.V.
Chemistry - A European Journal, 2017
30.
Nitroxide radicals. Part VI. Stability of meta- and para-alkyl substituted phenyl-t-butylnitroxides
Calder A., Forrester A.R.
Journal of the Chemical Society C Organic, 1969