Conformer-dependent electronic coupling for long-range triplet energy transfer in donor-bridge-acceptor porphyrin dimers |
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| Institution: | 1. KU Leuven Department of Rehabilitation Sciences, Leuven, Belgium;2. KU Leuven Department of Neurosciences, UPC KU Leuven, campus Kortenberg, Kortenberg, Belgium;3. School of Health and Social Care, University of Greenwich, Eltham, London, UK;4. School of Psychiatry, University of New South Wales, Sydney, Australia;5. Schizophrenia Research Unit, South Western Sydney Local Health District, Liverpool, Australia;6. Musculoskeletal Division, The George Institute for Global Health and School of Public Health, University of Sydney, Sydney, Australia;7. School of Sport, Exercise and Rehabilitation Sciences, University of Birmingham, Birmingham, B15 2TT, UK;1. Department of Food Technology, School of Food Engineering, University of Campinas, Campinas, SP, Brazil;2. Department of Food Science and Human Nutrition, University of Illinois at Urbana—Champaign, IL, USA;3. Department of Food Science and Technology, State University of Londrina, Londrina, PR, Brazil |
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| Abstract: | The electronic coupling for triplet energy transfer is calculated by time-dependent density functional theory (TD-DFT) for a set of tri-chromophoric systems based on a zinc(II) porphyrin donor and the corresponding free base acceptor covalently connected by different hydrocarbon bridging chromophores. The calculated electronic coupling, for systems with identical donor acceptor distances, is sensitive to the bridge electronic structure and shows a significant dependence for the bridge and donor-bridge conformations. The computational results compare quantitatively to measurements of triplet energy transfer rates in the corresponding donor-bridge-acceptor systems. |
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