Theoretical study of cation-pi interactions of Li , Na , and K with [6]helicene

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899399" target="_blank" >RIV/60461373:22340/15:43899399 - isvavai.cz</a>

Alternative codes found

RIV/60460709:41330/15:68300 RIV/60461373:22810/15:43899399

Result on the web

<a href="http://dx.doi.org/10.1007/s00706-014-1393-4" target="_blank" >http://dx.doi.org/10.1007/s00706-014-1393-4</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s00706-014-1393-4" target="_blank" >10.1007/s00706-014-1393-4</a>

Result language

angličtina

Original language name

Theoretical study of cation-pi interactions of Li , Na , and K with [6]helicene

Original language description

Using quantum-mechanical calculations, the most probable structures of cation-pi complexes of Li+, Na+, and K+ with [6]helicene were derived. Further, the corresponding interaction energies of these complexes were calculated; the absolute values of thesecalculated energies increase in the series of K+ < Na+ < Li+.

Czech name

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Czech description

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Type

J_x - 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

Name of the periodical

Monatshefte für Chemie

ISSN

0026-9247

e-ISSN

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Volume of the periodical

146

Issue of the periodical within the volume

8

Country of publishing house

AT - AUSTRIA

Number of pages

3

Pages from-to

1229-1231

UT code for WoS article

000358163800005

EID of the result in the Scopus database

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