[2.2.2]Paracyclophane as a receptor for the cesium cation in the gas phase
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F17%3A43913128" target="_blank" >RIV/60461373:22340/17:43913128 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/17:74581 RIV/60461373:22810/17:43913128
Result on the web
<a href="http://www.tandfonline.com/doi/full/10.1080/00268976.2017.1334971?scroll=top&needAccess=true" target="_blank" >http://www.tandfonline.com/doi/full/10.1080/00268976.2017.1334971?scroll=top&needAccess=true</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/00268976.2017.1334971" target="_blank" >10.1080/00268976.2017.1334971</a>
Alternative languages
Result language
angličtina
Original language name
[2.2.2]Paracyclophane as a receptor for the cesium cation in the gas phase
Original language description
By using electrospray ionisation mass spectrometry, it was proven experimentally that the cesium cation (Cs+) forms with [2.2.2]paracyclophane (C24H24) the cationic complex [Cs(C24H24)]+. Further, applying quantum chemical calculations, the most probable structure of the [Cs(C24H24)]+ complex was derived. In the resulting complex with a symmetry very close to C3, the ?central? cation Cs+, fully located in the cavity of the parent [2.2.2]paracyclophane ligand, is bound to all three benzene rings of [2.2.2]paracyclophane via cation?? interaction. Finally, the interaction energy, E(int), of the considered cation?? complex [Cs(C24H24)]+ was found to be ?73.2 kJ/mol, confirming the formation of this fascinating complex species as well. This means that [2.2.2]paracyclophane can be considered as a receptor for the Cs+ cation in the gas phase.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecular Physics
ISSN
0026-8976
e-ISSN
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Volume of the periodical
115
Issue of the periodical within the volume
20
Country of publishing house
GB - UNITED KINGDOM
Number of pages
5
Pages from-to
2553-2557
UT code for WoS article
000416509000009
EID of the result in the Scopus database
2-s2.0-85020692612