Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}?3H2O2?H2O

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62157124%3A16370%2F12%3A43871555" target="_blank" >RIV/62157124:16370/12:43871555 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.inoche.2012.08.003" target="_blank" >http://dx.doi.org/10.1016/j.inoche.2012.08.003</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.inoche.2012.08.003" target="_blank" >10.1016/j.inoche.2012.08.003</a>

Result language
angličtina
Original language name
Dinucleating role of a strong hydrogen bond in crystal structure of [N(C4H9)4]{[VO(HO2)(O2)(phen)][VO(O2)2(phen)]}?3H2O2?H2O
Original language description
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 interactionsbetween 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.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
FR - Pharmacology and apothecary chemistry
OECD FORD branch
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Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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