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Carolina Caicedo, Ana Martínez and Ernesto Rivera Theoretical study of novel porphyrins bearing electron donor–acceptor groups International Journal of Quantum Chemistry 113

Article first published online: 13 AUG 2012 | DOI: 10.1002/qua.24316

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The electronic structure and the donor-acceptor properties of some porphyrins are modeled by means of time-dependent density functional theory calculation to evaluate their possible use in solar cell technology. The electron donor-acceptor capacity of porphyrins is here characterized using two parameters; electrodonating and electroaccepting electronegativity.

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