Experimental and theoretical study on cation-pi interaction of the univalent thallium cation with [2.2.2]paracyclophane

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899727" target="_blank" >RIV/60461373:22340/15:43899727 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/15:#0000109 RIV/60461373:22810/15:43899727
Result on the web
<a href="http://dx.doi.org/10.1016/j.cplett.2015.10.074" target="_blank" >http://dx.doi.org/10.1016/j.cplett.2015.10.074</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cplett.2015.10.074" target="_blank" >10.1016/j.cplett.2015.10.074</a>

Result language
angličtina
Original language name
Experimental and theoretical study on cation-pi interaction of the univalent thallium cation with [2.2.2]paracyclophane
Original language description
By using electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the univalent thallium cation (TV) forms with [2.2.2]paracyclophane (C24H24) the cationic complex species [Tl(C24H24)](+). Further, employing quantum mechanical DFT calculations, the most probable structure of the [Tl(C24H24)](+) complex was derived. In the resulting complex with a symmetry very close to C-3, the 'central' cation TV is bound by six bonding interactions to six carbon atoms from the three benzene rings of the parent [2.2.2]paracyclophane ligand via cation-pi interaction.
Czech name
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Czech description
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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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Project
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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

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