Charge Transfer in the Electron Donor-Acceptor Complexes of [60]Fullerene/PM567 and [70]Fullerene/PM567 |
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Authors: | Sumanta Bhattacharya Soumyaditya Mula Subrata Chattopadhyay Manas Banerjee |
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Institution: | (1) Department of Chemistry, The University of Burdwan, Golapbag, Burdwan, 713 104, India;(2) Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai, 400 085, India |
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Abstract: | UV-Vis spectroscopic investigations of electron donor-acceptor complexes of 60]- and 70]fullerenes with a well-known laser dye, viz., 4,4-difluoro-1,3,5,7,8-pentamethyl-2,6-diethyl-4-bora-3a,4a-diaza-s-indecene (PM567), are reported in toluene solutions. Absorption bands due to charge transfer (CT) transitions have been located in the visible region. The vertical ionization potential of PM567 has been determined utilizing Mulliken’s equation. A possible mechanism for the interaction between the electronic subsystems of 60]- and 70]fullerenes with PM567 is discussed. Oscillator strengths, resonance energies and electronic coupling elements of the CT complexes were estimated. Formation constant data and ab initio calculations suggest that PM567 binds more tightly with 60]fullerene compared to 70]fullerene. |
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Keywords: | [60]- and [70]Fullerenes PM567 CT absorption bands Formation constants Ab initiocalculations |
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