Preparation and redox properties of fluorinated 1,3-diphenylisobenzofurans

0508220 - ÚFCH JH 2020 RIV GB eng J - Článek v odborném periodiku
Kaleta, J. - Šimková, Ludmila - Liška, Alan - Bím, Daniel - Madridejos, J. M. L. - Pohl, R. - Rulíšek, L. - Michl, J. - Ludvík, Jiří
Preparation and redox properties of fluorinated 1,3-diphenylisobenzofurans.
Electrochimica acta. Roč. 321, OCT 2019 (2019), č. článku 134659. ISSN 0013-4686. E-ISSN 1873-3859
Grant CEP: GA ČR(CZ) GA19-22806S
Institucionální podpora: RVO:61388955
Klíčová slova: DFT calculations * Fluorinated 1,3-Diphenylisobenzofurans * Oxidation/reduction * Singlet fission * Synthesis
Obor OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Impakt faktor: 6.215, rok: 2019
Způsob publikování: Omezený přístup

Eleven fluorinated 1,3-diphenylisobenzofurans, materials that are promising to perform efficient singlet fission, have been synthesized and their electrochemical reduction and oxidation in non-aqueous dimethylformamide examined. The redox properties are not changed continuously with increasing number of fluorine substituents but there are some qualitative turns in behavior for specific types of substitution revealing a discontinuity requiring deeper investigation. The DFT calculations confirm the trends observed experimentally by correlation of experimental and calculated data. The differences between the geometries of the neutral species and their radical ions were computed and rationalized.
Trvalý link: http://hdl.handle.net/11104/0299192