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Building blocks for the molecular expression of quantum cellular automata. Isolation and characterization of a covalently bonded square array of two ferrocenium and two ferrocene complexes
Authors:Jiao Jieying  Long Gary J  Grandjean Fernande  Beatty Alicia M  Fehlner Thomas P
Affiliation:Department of Chemistry & Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-5670, USA.
Abstract:The suitability of [{(eta5-C5H5)Fe(eta5-C5H4)}4(eta4-C4)Co(eta5-C5H5)][PF6]2, [1][PF6]2, for use as a molecular quantum cellular automata (QCA) cell is demonstrated. To this end the structure of 1 in the solid state and the conversion of 1 to mono- and dicationic mixed-valence complexes have been accomplished. The latter compounds have been isolated as pure materials and characterized by IR, EPR, and M?ssbauer spectroscopies and single-crystal XRD (monocation only) and magnetic susceptibility measurements. Near-IR spectra demonstrate the mixed valence character of the cations (valence trapped on the IR, EPR and M?ssbauer time scales), and the energies of the intervalence charge-transfer bands provide a measure of the hole hopping frequency.
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