Role of charge transfer interaction and the chemical physics behind effective fulleropyrrolidine/porphyrin non-covalent interaction in solution

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2014, Vol.121, p.559-568
• Main Authors: Mondal, Ashis, Santhosh, Kotni, Bauri, Ajoy, Bhattacharya, Sumanta
• Format: Article
• Language: English
• Subjects: DFT and hybrid-DFT calculations; Monoporphyrin; PyC60; Transient absorption study; UV–Vis, steady state and time resolved fluorescence measurements
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2013.07.054

[Display omitted] •First time report on CT interaction between PyC60 and porphyrin in solution.•Fluorescence study elicits efficient quenching of 1 in presence of PyC60.•Time-resolved emission study reveals formation of charge-separated state.•DFT calculations explore electronic structure of PyC60/1 system in vacuo.•Photoinduced electron transfer via TPyC60∗ from 1 is confirmed. The present paper reports the photophysical insights on supramolecular interaction of a monoporphyrin derivative, namely, 1, with C60 pyrrolidine tris-acid ethyl ester (PyC60) in toluene and benzonitrile. The ground state interaction between PyC60 and 1 is facilitated through charge transfer interaction. Both UV–Vis and steady state measurements elicit almost similar magnitude of binding constant for the PyC60/1 complex in toluene and benzonitrile, viz., 6825 and 6540dm3mol−1, respectively. Life time measurement evokes that rate of charge separation is fast in benzonitrile. Both hybrid-DFT and DFT calculations provide very good support in favor of electronic charge-separation in PyC60/1 system in vacuo.