Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}·3H2O2·H2O
Mária Šimuneková
1
,
Ján Šimunek
1
,
Jana Chrappová
1
,
Peter Schwendt
1
,
Zdirad Žák
2
,
František Pavelčík
3
Publication type: Journal Article
Publication date: 2012-10-01
scimago Q1
wos Q1
SJR: 0.758
CiteScore: 6.7
Impact factor: 5.4
ISSN: 13877003, 18790259
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Diperoxidovanadium complex with 1,10-phenanthroline, [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}⋅3H2O2⋅ H2O (1), has been prepared and characterized by infrared, Raman and 51V NMR spectra. X-ray structure analysis revealed the presence of dinuclear anion in 1 in which the [VO(HO2)(O2)(phen)] and [VO(O2)2(phen)]− entities are connected via a short, strong hydrogen bond formed between hydrogenperoxido (HO2−) and peroxido groups. Moreover, the crystal structure is stabilized by the stacking interactions between 1,10-phenanthroline ligands. We have attempted to estimate the binding energy of hydrogen bond in the dinuclear anion as well as the binding energy between stacked complex entities based on gas-phase quantum chemistry calculations.
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12
Total citations:
12
Citations from 2025:
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(8.33%)
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Šimuneková M. et al. Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}·3H2O2·H2O // Inorganic Chemistry Communication. 2012. Vol. 24. pp. 125-128.
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Šimuneková M., Šimunek J., Chrappová J., Schwendt P., Žák Z., Pavelčík F. Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}·3H2O2·H2O // Inorganic Chemistry Communication. 2012. Vol. 24. pp. 125-128.
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TY - JOUR
DO - 10.1016/j.inoche.2012.08.003
UR - https://doi.org/10.1016/j.inoche.2012.08.003
TI - Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}·3H2O2·H2O
T2 - Inorganic Chemistry Communication
AU - Šimuneková, Mária
AU - Šimunek, Ján
AU - Chrappová, Jana
AU - Schwendt, Peter
AU - Žák, Zdirad
AU - Pavelčík, František
PY - 2012
DA - 2012/10/01
PB - Elsevier
SP - 125-128
VL - 24
SN - 1387-7003
SN - 1879-0259
ER -
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BibTex (up to 50 authors)
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@article{2012_Šimuneková,
author = {Mária Šimuneková and Ján Šimunek and Jana Chrappová and Peter Schwendt and Zdirad Žák and František Pavelčík},
title = {Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}·3H2O2·H2O},
journal = {Inorganic Chemistry Communication},
year = {2012},
volume = {24},
publisher = {Elsevier},
month = {oct},
url = {https://doi.org/10.1016/j.inoche.2012.08.003},
pages = {125--128},
doi = {10.1016/j.inoche.2012.08.003}
}