Synthesis of a Neutral Mixed‐Valence Diferrocenyl Carborane for Molecular Quantum‐Dot Cellular Automata Applications

Abstract

The preparation of 7-Fc(+) -8-Fc-7,8-nido-[C2 B9 H10 ](-) (Fc(+) FcC2 B9 (-) ) demonstrates the successful incorporation of a carborane cage as an internal counteranion bridging between ferrocene and ferrocenium units. This neutral mixed-valence Fe(II) /Fe(III) complex overcomes the proximal electronic bias imposed by external counterions, a practical limitation in the use of molecular switches. A combination of UV/Vis-NIR spectroscopic and TD-DFT computational studies indicate that electron transfer within Fc(+) FcC2 B9 (-) is achieved through a bridge-mediated mechanism. This electronic framework therefore provides the possibility of an all-neutral null state, a key requirement for the implementation of quantum-dot cellular automata (QCA) molecular computing. The adhesion, ordering, and characterization of Fc(+) FcC2 B9 (-) on Au(111) has been observed by scanning tunneling microscopy.

On‐Surface Synthesis of Polyferrocenylene and its Single‐Chain Conformational and Electrical Transport Properties

“…[ 10 ] Materials derived from (poly)ferrocene that undergo reversible, low‐potential, single‐electron redox processes [ 35 ] are undoubtedly attractive to molecular electronics. Indeed, the number of studies on ferrocene‐based devices, ranging from molecular wires [ 36–39 ] to models of quantum cellular automata, [ 40–42 ] is steadily growing.…”

“…The discovery of the iconic ferrocene 1 molecule (Figure 1) in 1951, [1,2] whose sandwich structure contains an iron atom between two cyclopentadienyl rings, has revolutionized our view of the nature of the metal-carbon bond. [3,4] However, the preparation of its polymeric form, i.e., heteroannular poly(1,1′ferrocenylene) 2, as a well-defined, ultimately monodispersed Indeed, the number of studies on ferrocene-based devices, ranging from molecular wires [36][37][38][39] to models of quantum cellular automata, [40][41][42] is steadily growing.…”

In Quest of Molecular Materials for Quantum Cellular Automata: Exploration of the Double Exchange in the Two-Mode Vibronic Model of a Dimeric Mixed Valence Cell

“…The scope of this article does not allow to review a wealth of information on the results of molecular QCA, including the synthesis and study molecular systems, which are able to act as molecular cells. The reader can find it in references [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24][25] and references thein.…”

Insight Into The Spin‐Vibronic Problem of a Mixed Valence Magnetic Molecular Cell for Quantum Cellular Automata

“…Such properties are inherent in many compounds of mixed valence (MV) in which the role of the quantum dots is played by the redox sites linked by the bridging ligands mediating the electron tunneling. Driven by the development of the QCA area the targeted synthetic efforts during last years have led to the design of a number of organic and inorganic MV molecules for the purpose to get the systems suitable for the use as molecular cells for QCA [14–29] (see also Ref. [30, 31] devoted to the quantum‐chemical design of the cells).…”