Heteroleptic ruthenium( ii ) complexes featuring N -heterocyclic carbene-based C^N donor sets for solar energy conversion

We present a series of heteroleptic ruthenium( ii ) complexes featuring N -heterocyclic carbene-based C^N donor sets functionalized with long hydrophobic chains ( n decyl and n octyl) and –NCS ligands. These complexes utilize mono or tri-carboxy terpyridine (tpy) ligands as anchors to bind with TiO...

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Bibliographic Details
Published in:New journal of chemistry 2023-07, Vol.47 (28), p.13476-13485
Main Authors: Jain, Nimisha, Mary, Angelina, Singh, Tanu, Gadiyaram, Srushti, Jose, D. Amilan, Naziruddin, Abbas Raja
Format: Article
Language:English
Subjects:
Absorptivity
Carbenes
Charge transfer
Dye-sensitized solar cells
Electrochemical impedance spectroscopy
Electron density
Electron transport
Electronic structure
Ligands
Performance evaluation
Photovoltaic cells
Ruthenium compounds
Solar energy
Solar energy conversion
Titanium dioxide
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Summary:We present a series of heteroleptic ruthenium( ii ) complexes featuring N -heterocyclic carbene-based C^N donor sets functionalized with long hydrophobic chains ( n decyl and n octyl) and –NCS ligands. These complexes utilize mono or tri-carboxy terpyridine (tpy) ligands as anchors to bind with TiO 2 photoanodes. Herein, the synthetic route preferably gave access to only the complexes with NHC and –NCS ligands in trans -orientation. The complexes exhibit a wider visible-light absorptivity tailing until 750 nm. Stronger electron donation from the C^N donor set and an –NCS ligand propel these metal-ligand-to-ligand charge transfer excitations, transferring the electron density toward the carboxylate anchors. We evaluate the performance of these NHC-based ruthenium complexes in a typical dye-sensitized solar cell setup. The electrochemical and photophysical attributes of the complexes underline their ability to convert solar energy into electricity. Furthermore, interfacial electron transport parameters obtained from electrochemical impedance spectroscopy give deeper insight into the performance of the devices. We also present our analyses from electronic-structure calculations to support the experimental results.
ISSN:1144-0546
1369-9261
DOI:10.1039/D3NJ01432K