Theoretical Study on the Protonation of Cucurbit[7]uril

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895838" target="_blank" >RIV/60461373:22340/13:43895838 - isvavai.cz</a>

Alternative codes found

RIV/60460709:41330/13:60894

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Theoretical Study on the Protonation of Cucurbit[7]uril

Original language description

By using quantum mechanical DFT calculations, the most probable structures of the cucurbit[7]uril center dot H3O+ and cucurbit[7]uril center dot(H3O+)(2) cationic complex species were derived. In these two complexes having a plane symmetry, each of the considered H3O+ cations is bound by relatively strong hydrogen bonds to the corresponding carbonyl oxygens of the parent cucurbit[7]uril macrocycle.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CB - Analytical chemistry, separation

OECD FORD branch

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Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2013

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Acta Chimica Slovenica

ISSN

1318-0207

e-ISSN

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Volume of the periodical

60

Issue of the periodical within the volume

2

Country of publishing house

SI - SLOVENIA

Number of pages

4

Pages from-to

416-419

UT code for WoS article

000322040900023

EID of the result in the Scopus database

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