Experimental and theoretical study on cation?? 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%2F61388955%3A_____%2F15%3A00452920" target="_blank" >RIV/61388955:_____/15:00452920 - isvavai.cz</a>
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?? 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 (Tl+) forms with [2.2.2]paracyclophane (C24H24) the cationic complex species [Tl(C24H24)]+. Further, employing quantum mechanicalDFT calculations, the most probable structure of the [Tl(C24H24)]+ complex was derived. In the resulting complex with a symmetry very close to C3, the central? cation Tl+ 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?? 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
CF - Physical chemistry and theoretical chemistry
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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