A Combined Experimental and DFT Study on the Complexation of the Hydrazinium Cation with a Hexaarylbenzene - Based Receptor
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F11%3A43891760" target="_blank" >RIV/60461373:22340/11:43891760 - isvavai.cz</a>
Alternative codes found
RIV/61389013:_____/11:00364678
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
A Combined Experimental and DFT Study on the Complexation of the Hydrazinium Cation with a Hexaarylbenzene - Based Receptor
Original language description
From extraction experiments and gama-activity measurements, the exchange extraction constant corresponding to the equilibrium N2H5+(aq) + 1.Cs+(nb) = 1.N2H5+(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (1 = hexaarylbenzene - based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (N2H5+,1.Cs+) = -1.2 +- 0.1. Further, the stability constant of the hexaarylbenzene - based receptor . N2H5+ complex (abbrev. 1.N2H5+) in nitrobenzene saturated with waterwas calculated for a temperature of 25 °C: log betanb(1.N2H5+) = 5.6 +- 0.2. By using quantum mechanical DFT calculations, the most probable structure of the 1.N2H5+ complex species was solved. In this complex, the cation N2H5+ synergistically interactswith the polar ethereal oxygen fence and with the central hydrophobic benzene bottom via cation - pí interaction.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
—
Result continuities
Project
<a href="/en/project/GAP205%2F10%2F2280" target="_blank" >GAP205/10/2280: Photogeneration and charge transport in molecular semiconductors for organic photovoltaics</a><br>
Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Chimica Slovenica
ISSN
1318-0207
e-ISSN
—
Volume of the periodical
58
Issue of the periodical within the volume
3
Country of publishing house
SI - SLOVENIA
Number of pages
5
Pages from-to
611-615
UT code for WoS article
000295872200032
EID of the result in the Scopus database
—