[2.2.2]Paracyclophane as a receptor for the cesium cation in the gas phase

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/60460709:41330/17:74581 RIV/60461373:22810/17:43913128

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

[2.2.2]Paracyclophane as a receptor for the cesium cation in the gas phase

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

[2.2.2]Paracyclophane as a receptor for the cesium cation in the gas phase

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Molecular Physics

ISSN

0026-8976

e-ISSN

—

Svazek periodika

115

Číslo periodika v rámci svazku

20

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

5

Strana od-do

2553-2557

Kód UT WoS článku

000416509000009

EID výsledku v databázi Scopus

2-s2.0-85020692612