Experimental and theoretical study on cation-pi interaction of Ag with [6]helicene

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F16%3A43901626" target="_blank" >RIV/60461373:22340/16:43901626 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/16:71237 RIV/00216208:11310/16:10323244

Výsledek na webu

<a href="http://link.springer.com/article/10.1007/s11224-015-0595-7?wt_mc=internal.event.1.SEM.ArticleAuthorAssignedToIssue" target="_blank" >http://link.springer.com/article/10.1007/s11224-015-0595-7?wt_mc=internal.event.1.SEM.ArticleAuthorAssignedToIssue</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s11224-015-0595-7" target="_blank" >10.1007/s11224-015-0595-7</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and theoretical study on cation-pi interaction of Ag with [6]helicene

Popis výsledku v původním jazyce

By employing electrospray ionization mass spectrometry, it was proven experimentally that the [6]helicene-Ag+ complex (i.e., [Ag(C26H16)](+)) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C26H16)](+) was derived. Finally, in the solid state, the complex [6]helicene-silver triflate-monohydrate (i.e., C26H16-AgCF3SO3-H2O), crystallizing in the monoclinic system with the centro-symmetric P2(1)/c space group, was prepared and analyzed. The characteristic feature of this complex packing in the solid state is the formation of the separated [6]helicene and silver triflate domains. In both of these binding modes, the investigated [6]helicene ligand functions as a molecular tweezer for the univalent silver cation.

Název v anglickém jazyce

Experimental and theoretical study on cation-pi interaction of Ag with [6]helicene

Popis výsledku anglicky

By employing electrospray ionization mass spectrometry, it was proven experimentally that the [6]helicene-Ag+ complex (i.e., [Ag(C26H16)](+)) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C26H16)](+) was derived. Finally, in the solid state, the complex [6]helicene-silver triflate-monohydrate (i.e., C26H16-AgCF3SO3-H2O), crystallizing in the monoclinic system with the centro-symmetric P2(1)/c space group, was prepared and analyzed. The characteristic feature of this complex packing in the solid state is the formation of the separated [6]helicene and silver triflate domains. In both of these binding modes, the investigated [6]helicene ligand functions as a molecular tweezer for the univalent silver cation.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CB - Analytická chemie, separace

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Structural Chemistry

ISSN

1040-0400

e-ISSN

—

Svazek periodika

27

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

627-635

Kód UT WoS článku

000372291500019

EID výsledku v databázi Scopus

2-s2.0-84961171497