On the dual character of charged metal–molecule hybrids and the opposite behaviour of the forward and reverse CT processes

Literature Information

Publication Date 2014-09-17
DOI 10.1039/C4CP03984J
Impact Factor 3.676
Authors

J. Roman-Perez, S. P. Centeno, M. R. López-Ramírez, J. F. Arenas, J. Soto, I. López-Tocón, J. C. Otero


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Abstract

DFT calculations predict two different electronic structures of metal–molecule hybrids which are selected depending on the surface charge. While the metal-to-molecule CT states are very sensitive to the charge, the energies of the reverse molecule-to-metal CT processes are surprisingly not modified at all by the charge of the metal.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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