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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

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

  • 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

  • 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