Peculiar Photoinduced Electron Transfer in Porphyrin-Fullerene Akamptisomers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F19%3A00502939" target="_blank" >RIV/61388963:_____/19:00502939 - isvavai.cz</a>
Result on the web
<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201804999" target="_blank" >https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201804999</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/chem.201804999" target="_blank" >10.1002/chem.201804999</a>
Alternative languages
Result language
angličtina
Original language name
Peculiar Photoinduced Electron Transfer in Porphyrin-Fullerene Akamptisomers
Original language description
Porphyrin-fullerene dyads are promising candidates for organic photovoltaic devices. The electron-transfer (ET) properties of the molecular devices depend significantly on the mutual position of the donor and acceptor. Recently, a new type of molecular isomerism (akamptisomerism) has been discovered. In the present study, we explore how photoinduced ET can be modulated by passing from one akamptisomer to another. To this aim, four akamptisomers of the quinoxalinoporphyrin-[60]fullerene complex are selected for computational study. The most striking finding is that, depending on the isomer, the porphyrin unit in the dyad can act as either electron donor or electron acceptor. Thus, the stereoisomeric diversity allows one to change the direction of ET between the porphyrin and fullerene moieties. To understand the effect of akamptisomerism on the photoinduced ET processes, a detailed analysis of initial and final states involved in the ET is performed. The computed rate for charge separation is estimated to be in the region of 1-10 ns(-1). The formation of a long-living quinoxalinoporphyrin anion radical species is predicted.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemistry - A European Journal
ISSN
0947-6539
e-ISSN
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Volume of the periodical
25
Issue of the periodical within the volume
10
Country of publishing house
DE - GERMANY
Number of pages
9
Pages from-to
2577-2585
UT code for WoS article
000459811800027
EID of the result in the Scopus database
2-s2.0-85060256426