A Panchromatic Cyclometalated Iridium Dye Based on 2-Thienyl-Perimidine

Autor: Paulina Kalle, Marina A. Kiseleva, Sergei V. Tatarin, Daniil E. Smirnov, Alexander Y. Zakharov, Viktor V. Emets, Andrei V. Churakov, Stanislav I. Bezzubov
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Molecules, Vol 27, Iss 10, p 3201 (2022)
Druh dokumentu: article
ISSN: 1420-3049
DOI: 10.3390/molecules27103201
Popis: Though 2-arylperimidines have never been used in iridium(III) chemistry, the present study on structural, electronic and optical properties of N-unsubstituted and N-methylated 2-(2-thienyl)perimidines, supported by DFT/TDDFT calculations, has shown that these ligands are promising candidates for construction of light-harvesting iridium(III) complexes. In contrast to N-H perimidine, the N-methylated ligand gave the expected cyclometalated μ-chloro-bridged iridium(III) dimer which was readily converted to a cationic heteroleptic complex with 4,4′-dicarboxy-2,2′-bipyridine. The resulting iridium(III) dye exhibited panchromatic absorption up to 1000 nm and was tested in a dye-sensitized solar cell.
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