DFT Study on the Complexation of Bambus[6]uril with the Perchlorate and Tetrafluoroborate Anions

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F11%3A43891784" target="_blank" >RIV/60461373:22340/11:43891784 - isvavai.cz</a>

Alternative codes found

RIV/61389013:_____/11:00370739 RIV/49777513:23520/11:43915399

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

DFT Study on the Complexation of Bambus[6]uril with the Perchlorate and Tetrafluoroborate Anions

Original language description

By using quantum mechanical DFT calculations, the most probable structures of the bambus[6]uril.ClO4- and bambus[6]uril.BF4- anionic complex species were derived. In these two complexes having C3 symmetry, each of the considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion.

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

<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

Publication year

2011

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

58

Issue of the periodical within the volume

4

Country of publishing house

SI - SLOVENIA

Number of pages

4

Pages from-to

846-849

UT code for WoS article

000298811900028

EID of the result in the Scopus database

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