A Tetrairon Dication Featuring Tetraethynylbenzene Bridging Ligand: a Molecular Prototype of Quantum-Dot Cellular Automata

Rim Makhoul (1) , Paul Hamon (1) , Thierry Roisnel (1) , Jean-René Hamon (1) , Claude Lapinte (2)

1 ISCR - Institut des Sciences Chimiques de Rennes
2 CNRS - Centre National de la Recherche Scientifique

The unprecedented tetrairon dication [{Cp*(dppe)FeC≡C-} -μ-(1,2,4,5-C H )](PF ) (1) was obtained through a sequence of three reactions from 1,2,4,5-tetraethynylbenzene, Cp*(dppe)FeCl (Cp*=C Me , dppe=1,2-bis(diphenylphosphino)-ethane), KOtBu, and ferrocenium hexafluorophosphate. The cyclic voltammogram of the target molecule, isolated in 77 % yield, exhibits four well separated and reversible redox events showing that 1 is thermodynamically stable with respect to disproportionation (Kc>10 ). The tetranuclear dication 1 was characterized by XRD on single crystal, IR and NMR spectroscopies and Mössbauer spectrometry. The experimental data show that 1 behaves as a class II mixed-valence complex with the positive charges preferentially disposed on antipodal positions. This new molecule can be regarded as a potential molecular prototype of quantum dot cellular automata.

Keywords: organoiron; tetraethynylbenzene bridge; mixed-valence; charge container; QCA (quantum cellular automata)

Domains: Chemical Sciences

Rim Makhoul, Paul Hamon, Thierry Roisnel, Jean-René Hamon, Claude Lapinte. A Tetrairon Dication Featuring Tetraethynylbenzene Bridging Ligand: a Molecular Prototype of Quantum-Dot Cellular Automata. Chemistry - A European Journal, 2020, 26 (38), pp.8368-8371. ⟨10.1002/chem.202000910⟩. ⟨hal-02533166⟩