Isotropic Three-Dimensional Molecular Conductor Based on the Coronene Radical Cation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F14%3A00438681" target="_blank" >RIV/61388980:_____/14:00438681 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1002/ejic.201400119" target="_blank" >http://dx.doi.org/10.1002/ejic.201400119</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/ejic.201400119" target="_blank" >10.1002/ejic.201400119</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Isotropic Three-Dimensional Molecular Conductor Based on the Coronene Radical Cation

Popis výsledku v původním jazyce

In this study, we obtained the first cation radical solid of a highly symmetric (D-6h) polyaromatic hydrocarbon, coronene, by electrooxidation. The (coronene)(3)Mo6Cl14 salt, which is formed with an O-h-symmetric molybdenum cluster unit Mo6Cl142-, has anisotropic cubic structure with Pm (3) over barm symmetry. The presence of two orientations for the coronene molecules related by an in-plane 90 degrees rotation (merohedral disorder) allows for fourfold symmetry along the < 100 > direction. The disorderhas dynamic features because H-2 NMR spectroscopic studies revealed that the coronene molecules undergo an in-plane flipping motion. The observation of two motional sites with significantly different rotational rates (300 Hz and 5 MHz at 103 K) in an approximate 2: 1 ratio appears to be consistent with the splitting of a Raman-active A(1g) mode, confirming a random charge-disproportionated state instead of a uniform partially-charged state. The slower-and faster-rotating species are ass

Název v anglickém jazyce

Isotropic Three-Dimensional Molecular Conductor Based on the Coronene Radical Cation

Popis výsledku anglicky

In this study, we obtained the first cation radical solid of a highly symmetric (D-6h) polyaromatic hydrocarbon, coronene, by electrooxidation. The (coronene)(3)Mo6Cl14 salt, which is formed with an O-h-symmetric molybdenum cluster unit Mo6Cl142-, has anisotropic cubic structure with Pm (3) over barm symmetry. The presence of two orientations for the coronene molecules related by an in-plane 90 degrees rotation (merohedral disorder) allows for fourfold symmetry along the < 100 > direction. The disorderhas dynamic features because H-2 NMR spectroscopic studies revealed that the coronene molecules undergo an in-plane flipping motion. The observation of two motional sites with significantly different rotational rates (300 Hz and 5 MHz at 103 K) in an approximate 2: 1 ratio appears to be consistent with the splitting of a Raman-active A(1g) mode, confirming a random charge-disproportionated state instead of a uniform partially-charged state. The slower-and faster-rotating species are ass

Druh

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

CEP obor

CA - Anorganická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GA13-05114S" target="_blank" >GA13-05114S: Šestijaderné molybdenové klastry s laditelnými luminiscenčními vlastnostmi</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

European Journal of Inorganic Chemistry

ISSN

1434-1948

e-ISSN

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Svazek periodika

—

Číslo periodika v rámci svazku

24

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

8

Strana od-do

3871-3878

Kód UT WoS článku

000340940800012

EID výsledku v databázi Scopus

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