volume 22 issue 16 pages 2866-2872

Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate

Andrei V. Churakov 1, 2, 3, 4, 5
Dmitry A Grishanov 1, 2, 3, 4, 5, 6, 7
Alexander G. Medvedev 1, 2, 3, 4, 5
Alexey Mikhaylov 1, 2, 3, 4, 5
Mikhail V. Vener 1, 2, 3, 4, 5, 8, 9
Mger A. Navasardyan 1, 2, 3, 4, 5
Tatiana A Tripolskaya 1, 2, 3, 4, 5
Ovadia Lev 6, 7, 10, 11, 12, 13
Petr V. Prikhodchenko 1, 2, 3, 4, 5
Publication typeJournal Article
Publication date2020-03-09
scimago Q2
wos Q2
SJR0.520
CiteScore5.2
Impact factor2.6
ISSN14668033
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
2-Aminobenzimidazole hemiperoxosolvate 2(C7H7N3)·H2O2 was synthesized and studied by single crystal X-ray analysis and periodic (solid-state) DFT calculations. The obtained compound, after urea and melamine peroxosolvates, is the third example of an H2O2 crystalline adduct stabilized with the maximum possible number of hydrogen bonds formed by one hydrogen peroxide molecule – 2 H-bonds as proton donors and 4 as acceptors. Due to the small size of the hydrogen peroxide molecule, its hydrogen bonding energy contributes the maximal impact and determines the relative value of the hydrogen bonding energy of the peroxosolvate crystal and can be suggested as an energetic criterion of perhydrate stability. The total energy of the 6 hydrogen bonds formed by one hydrogen peroxide molecule in all three compounds (∼140–∼170 kJ mol−1) was calculated and compared to the corresponding values for crystalline hydrogen peroxide and L-serine peroxosolvate. The total energy of the 4 hydrogen bonds of hydrogen peroxide molecule in crystalline H2O2 and L-serine peroxosolvate (150 and 113 kJ mol−1, respectively) was evaluated by solid-state DFT calculations.
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Churakov A. V. et al. Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate // CrystEngComm. 2020. Vol. 22. No. 16. pp. 2866-2872.
GOST all authors (up to 50) Copy
Churakov A. V., Grishanov D. A., Medvedev A. G., Mikhaylov A., Vener M. V., Navasardyan M. A., Tripolskaya T. A., Lev O., Prikhodchenko P. V. Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate // CrystEngComm. 2020. Vol. 22. No. 16. pp. 2866-2872.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1039/d0ce00096e
UR - https://xlink.rsc.org/?DOI=D0CE00096E
TI - Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate
T2 - CrystEngComm
AU - Churakov, Andrei V.
AU - Grishanov, Dmitry A
AU - Medvedev, Alexander G.
AU - Mikhaylov, Alexey
AU - Vener, Mikhail V.
AU - Navasardyan, Mger A.
AU - Tripolskaya, Tatiana A
AU - Lev, Ovadia
AU - Prikhodchenko, Petr V.
PY - 2020
DA - 2020/03/09
PB - Royal Society of Chemistry (RSC)
SP - 2866-2872
IS - 16
VL - 22
SN - 1466-8033
ER -
BibTex |
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BibTex (up to 50 authors) Copy
@article{2020_Churakov,
author = {Andrei V. Churakov and Dmitry A Grishanov and Alexander G. Medvedev and Alexey Mikhaylov and Mikhail V. Vener and Mger A. Navasardyan and Tatiana A Tripolskaya and Ovadia Lev and Petr V. Prikhodchenko},
title = {Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate},
journal = {CrystEngComm},
year = {2020},
volume = {22},
publisher = {Royal Society of Chemistry (RSC)},
month = {mar},
url = {https://xlink.rsc.org/?DOI=D0CE00096E},
number = {16},
pages = {2866--2872},
doi = {10.1039/d0ce00096e}
}
MLA
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MLA Copy
Churakov, Andrei V., et al. “Stabilization of hydrogen peroxide by hydrogen bonding in the crystal structure of 2-aminobenzimidazole perhydrate.” CrystEngComm, vol. 22, no. 16, Mar. 2020, pp. 2866-2872. https://xlink.rsc.org/?DOI=D0CE00096E.