Theoretical study on the complexation of bambus[6]uril with the methanesulfonate and trifluoromethanesulfonate anions

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899486" target="_blank" >RIV/60461373:22340/15:43899486 - isvavai.cz</a>

Alternative codes found

RIV/60460709:41330/15:68305

Result on the web

<a href="http://dx.doi.org/10.1007/s00706-015-1417-8" target="_blank" >http://dx.doi.org/10.1007/s00706-015-1417-8</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s00706-015-1417-8" target="_blank" >10.1007/s00706-015-1417-8</a>

Result language

angličtina

Original language name

Theoretical study on the complexation of bambus[6]uril with the methanesulfonate and trifluoromethanesulfonate anions

Original language description

By using quantum mechanical DFT calculations, the most probable structures of the bambus[6]uril-CH3SO (3) (-) and bambus[6]uril-CF3SO (3) (-) anionic complex species were derived. In these two complexes having C (3) 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

—

Czech description

—

Type

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

CEP classification

CB - Analytical chemistry, separation

OECD FORD branch

—

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2015

Confidentiality

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

Name of the periodical

Monatshefte für Chemie

ISSN

0026-9247

e-ISSN

—

Volume of the periodical

146

Issue of the periodical within the volume

10

Country of publishing house

AT - AUSTRIA

Number of pages

4

Pages from-to

1609-1612

UT code for WoS article

000360712900003

EID of the result in the Scopus database

—