On the dual character of charged metal–molecule hybrids and the opposite behaviour of the forward and reverse CT processes
文献信息
J. Roman-Perez, S. P. Centeno, M. R. López-Ramírez, J. F. Arenas, J. Soto, I. López-Tocón, J. C. Otero
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.
期刊推荐

Israel Journal of Chemistry

Fibre Chemistry

Science Progress

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Proceedings of the National Academy of Sciences of the United States of America

Helvetica Chimica Acta

Kinetics and Catalysis

Journal of Physics and Chemistry of Solids

Journal of Organometallic Chemistry
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