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- W2888311432 abstract "Abstract The present paper reports a detailed photophysical investigation on the supramolecular interactions of a functionalised fullerene, namely [6,6]-phenyl C71 butyric acid methyl ester (PC70BM), with a designed monoporphyrin, [bis(4-hydroxyseselinyl)porphyrin] (1), in toluene and 1,2-dichlorobenzene (DCB). The values of the binding constant (K) for the PC70BM-1 system measured by steady-state fluorescence investigation in toluene (KPCBM-1 (toluene)) and DCB (KPCBM-1 (DCB)) are estimated to be 15,085 dm3 mol−1 and 6700 dm3 mol−1, respectively. A moderate value of selectivity (K) is observed for the PC70BM-1 system in toluene and DCB (KPC70BM-1 (Toluene)/KPC70BM-1 (DCB) ~2.25) due to a solvophobic effect. Life time measurements proved that photo-excited 1⁎ undergoes decay in the presence of PC70BM in toluene and DCB as a result of static quenching. Hybrid-density functional theory (DFT) calculations predicted the geometric structure of PC70BM-1 system in vacuo and established the electronic redistribution between PC70BM and 1 in the PC70BM-1 system with the help of molecular orbital, molecular electrostatic potential map, and multipole bond moment calculations. Transient-absorption measurements established that binding interactions overcome both energy and/or electron-transfer process(es) during non-covalent interactions between PC70BM and 1 in solution." @default.
- W2888311432 created "2018-08-31" @default.
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- W2888311432 date "2018-12-01" @default.
- W2888311432 modified "2023-09-24" @default.
- W2888311432 title "Molecular assembly of PC70BM with a designed monoporphyrin: Spectroscopic investigation in solution and theoretical calculations" @default.
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- W2888311432 doi "https://doi.org/10.1016/j.molliq.2018.08.117" @default.
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