Molecular Implementations of Quantum-dot Cellular Automata: the Vibronic Problem in Mixed-valence Tetra-ruthenium Species
نویسندگان
چکیده
Here we report the evaluation of the electronic and vibronic levels of mixedvalence tetra-ruthenium (2Ru(II)+2Ru(III)) systems assembled as two coupled Creutz-Taube complexes for which possible molecular implementations of quantumdot cellular automata was proposed. In this view the main theoretical issue is related to the vibronic localization of the two holes whose positions are able encode information at the molecular level. These complexes are representatives of Robin and Day classes I, II, and III and therefore the vibronic coupling is crucially important for the adequate description of the magnetic characteristics and profiles of the intervalence optical bands.
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