title: Role of charge transfer interaction and the chemical physics behind effective fulleropyrrolidine/porphyrin non-covalent interaction in solution.
abstract: 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 6540 dm(3 )mol(-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.
authors.affiliation: Department of Chemistry, The University of Burdwan, Golapbag, Burdwan 713 104, India.
authors.forename: Ashis
authors.initials: A
authors.lastname: Mondal
authors.affiliation: School of Chemistry, University of Hyderabad, Hyderabad, AP 500 046, India.
authors.forename: Kotni
authors.initials: K
authors.lastname: Santhosh
authors.affiliation: Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085, India.
authors.forename: Ajoy
authors.initials: A
authors.lastname: Bauri
authors.affiliation: Department of Chemistry, The University of Burdwan, Golapbag, Burdwan 713 104, India. Electronic address: sum_9974@rediffmail.com.
authors.forename: Sumanta
authors.initials: S
authors.lastname: Bhattacharya
mesh_terms: D000042:Absorption; D055598:Chemical Phenomena; D004583:Electrons; D037741:Fullerenes / Q000737:chemistry*; D007700:Kinetics; D008665:Metalloporphyrins / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011166:Porphyrins / Q000737:chemistry*; D011759:Pyrrolidines / Q000737:chemistry*; D011789:Quantum Theory; D012996:Solutions; D012997:Solvents / Q000737:chemistry; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D055672:Static Electricity; D013997:Time Factors; D017186:Titrimetry
chemical_list: D037741:Fullerenes; D008665:Metalloporphyrins; D011166:Porphyrins; D011759:Pyrrolidines; D012996:Solutions; D012997:Solvents
keywords: DFT and hybrid-DFT calculations; Monoporphyrin; PyC(60); Transient absorption study; UV–Vis, steady state and time resolved fluorescence measurements