Theoretical study of cation-pi interactions of Cu , Ag , and Au with [6]helicene

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899491" target="_blank" >RIV/60461373:22340/15:43899491 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/15:68306 RIV/60461373:22810/15:43899491
Result on the web
<a href="http://dx.doi.org/10.1007/s00706-015-1437-4" target="_blank" >http://dx.doi.org/10.1007/s00706-015-1437-4</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00706-015-1437-4" target="_blank" >10.1007/s00706-015-1437-4</a>

Result language
angličtina
Original language name
Theoretical study of cation-pi interactions of Cu , Ag , and Au with [6]helicene
Original language description
Using quantum-mechanical calculations, the most probable structures of cation-pi complexes of Cu+, Ag+, and Au+ with [6]helicene were derived. In each of these three cationic complexes, the "central" cation M+ (M+ = Cu+, Ag+, Au+) is always bound by fourbonds to four carbon atoms from the two terminal benzene rings of the parent [6]helicene ligand via cation-pi interaction. It means that in each of these three cases, the investigated [6]helicene ligand functions as a molecular tweezer for the considered "soft" cation M+. Further, the corresponding interaction energies of these complexes were calculated; the absolute values of these calculated energies increase in the series of Cu+ < Ag+ < Au+.
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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