Theoretical study on the protonation of cucurbit[6]uril
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F11%3A43891711" target="_blank" >RIV/60461373:22340/11:43891711 - isvavai.cz</a>
Alternative codes found
RIV/61389013:_____/11:00364542 RIV/60460709:41330/11:51762
Result on the web
<a href="http://dx.doi.org/10.1007/s00706-011-0556-9" target="_blank" >http://dx.doi.org/10.1007/s00706-011-0556-9</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00706-011-0556-9" target="_blank" >10.1007/s00706-011-0556-9</a>
Alternative languages
Result language
angličtina
Original language name
Theoretical study on the protonation of cucurbit[6]uril
Original language description
The most probable structures of the cucurbit[6]uril.H3O+ and cucurbit[6]uril.(H3O+)2 cationic complex species have been derived by quantum mechanical DFT calculations. In these two complexes, each of the H3O+ ions is bound by three strong linear hydrogenbonds to three carbonyl oxygen atoms of the parent macrocycle.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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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
Monatshefte für Chemie
ISSN
0026-9247
e-ISSN
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Volume of the periodical
142
Issue of the periodical within the volume
10
Country of publishing house
DE - GERMANY
Number of pages
4
Pages from-to
993-996
UT code for WoS article
000297216000004
EID of the result in the Scopus database
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