Phenyl-substituted cibalackrot derivatives: Redox behavior, structure-properties relationships and in situ UV-vis/EPR-spectroelectrochemistry of radical ions

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F23%3A00573390" target="_blank" >RIV/61388955:_____/23:00573390 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/23:00573390
Result on the web
<a href="https://hdl.handle.net/11104/0343850" target="_blank" >https://hdl.handle.net/11104/0343850</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.electacta.2023.142498" target="_blank" >10.1016/j.electacta.2023.142498</a>

Result language
angličtina
Original language name
Phenyl-substituted cibalackrot derivatives: Redox behavior, structure-properties relationships and in situ UV-vis/EPR-spectroelectrochemistry of radical ions
Original language description
Redox properties and UV–vis and EPR spectroelectrochemical behavior of cibalackrot (7,14-diphenyldiindolo[3,2,1-de:3′,2′,1′-ij][1,5]naphthyridine-6,13‑dione, 1) and its six derivatives 2 - 7 carrying two substituted phenyl rings have been examined. The dyes are of potential interest for organic electronics and singlet fission for solar energy conversion. The compounds are reduced in two reversible one-electron steps under formation of a stable primary radical anion. Oxidation yields the radical cation in a first reversible step and the second step is quasireversible. The presence of radical ions was confirmed by in situ UV–vis/EPR spectroelectrochemistry. The substituents have different influence on oxidation and on reduction, as revealed using the LFER approach and interpreted with the help of calculated energies of frontier orbitals. The observed first reduction (Ered1) and first oxidation (Eox1) potentials correlate well with the calculated values and their difference (ΔE1) has photophysical relevance because it reflects the energy of HOMO-LUMO gap.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Project
<a href="/en/project/GA19-22806S" target="_blank" >GA19-22806S: Singlet Fission: Redox and Photophysics of Captodative Biradicaloids</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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