Synthesis of a Neutral Mixed‐Valence Diferrocenyl Carborane for Molecular Quantum‐Dot Cellular Automata Applications |
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| Authors: | John A Christie Ryan P Forrest Dr Steven A Corcelli Dr Natalie A Wasio Dr Rebecca C Quardokus Dr Ryan Brown Dr S Alex Kandel Dr Yuhui Lu Dr Craig S Lent Dr Kenneth W Henderson |
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| Institution: | 1. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556 (USA);2. Department of Chemistry, Holy Cross College, Notre Dame, IN 46556 (USA);3. Department of Electrical Engineering, University of Notre Dame, Notre Dame, IN 46556 (USA) |
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| Abstract: | The preparation of 7‐Fc+‐8‐Fc‐7,8‐nido‐C2B9H10]? (Fc+FcC2B9?) demonstrates the successful incorporation of a carborane cage as an internal counteranion bridging between ferrocene and ferrocenium units. This neutral mixed‐valence FeII/FeIII 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+FcC2B9? 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+FcC2B9? on Au(111) has been observed by scanning tunneling microscopy. |
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| Keywords: | carboranes mixed‐valence compounds QCA STM zwitterions |
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