Stereocontrolled Photoinduced Electron Transfer in Metal-Fullerene Hybrids

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F18%3A00493444" target="_blank" >RIV/61388963:_____/18:00493444 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1002/chem.201802381" target="_blank" >http://dx.doi.org/10.1002/chem.201802381</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/chem.201802381" target="_blank" >10.1002/chem.201802381</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Stereocontrolled Photoinduced Electron Transfer in Metal-Fullerene Hybrids

Popis výsledku v původním jazyce

Photoinduced electron transfer in transition-metal complexes linked to a fullerene moiety is of increasing interest. Recently, several stereoisomers of an Ir-complex exhibiting configurational stability at metal center, which does not undergo epimerization have been synthesized (Angew. Chem. Int. Ed. 2017, 56, 2136). The presence of multiple electron donor and acceptor sites located at opposite ends with respect to the metallic center creates the prerequisites for the formation of entirely different charge transfer (CT) states. Here we report the results of quantum mechanical calculations and detailed analysis of excited-state properties for all stereoisomers of the junction. We found that the stereoisomers demonstrate clearly different CT properties by photoexcitation. The found photo-stereospecific effects can be used to design new hybrids with a different type of photoinduced CT state, exhibiting dissimilar activity in photocatalysis.

Název v anglickém jazyce

Stereocontrolled Photoinduced Electron Transfer in Metal-Fullerene Hybrids

Popis výsledku anglicky

Photoinduced electron transfer in transition-metal complexes linked to a fullerene moiety is of increasing interest. Recently, several stereoisomers of an Ir-complex exhibiting configurational stability at metal center, which does not undergo epimerization have been synthesized (Angew. Chem. Int. Ed. 2017, 56, 2136). The presence of multiple electron donor and acceptor sites located at opposite ends with respect to the metallic center creates the prerequisites for the formation of entirely different charge transfer (CT) states. Here we report the results of quantum mechanical calculations and detailed analysis of excited-state properties for all stereoisomers of the junction. We found that the stereoisomers demonstrate clearly different CT properties by photoexcitation. The found photo-stereospecific effects can be used to design new hybrids with a different type of photoinduced CT state, exhibiting dissimilar activity in photocatalysis.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Chemistry - A European Journal

ISSN

0947-6539

e-ISSN

—

Svazek periodika

24

Číslo periodika v rámci svazku

49

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

6

Strana od-do

13020-13025

Kód UT WoS článku

000443382500034

EID výsledku v databázi Scopus

2-s2.0-85051066401