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

Jieying Jiao; Gary J Long; Fernande Grandjean; Alicia M Beatty; Thomas P Fehlner

doi:10.1021/ja035077c

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

J Am Chem Soc. 2003 Jun 25;125(25):7522-3. doi: 10.1021/ja035077c.

Authors

Jieying Jiao¹, Gary J Long, Fernande Grandjean, Alicia M Beatty, Thomas P Fehlner

Affiliation

¹ Department of Chemistry & Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-5670, USA.

PMID: 12812485
DOI: 10.1021/ja035077c

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 Mössbauer 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 Mössbauer time scales), and the energies of the intervalence charge-transfer bands provide a measure of the hole hopping frequency.