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

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 e...

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Veröffentlicht in:Angewandte Chemie International Edition 2015-12, Vol.54 (51), p.15448-15451
Hauptverfasser: Christie, John A., Forrest, Ryan P., Corcelli, Steven A., Wasio, Natalie A., Quardokus, Rebecca C., Brown, Ryan, Kandel, S. Alex, Lu, Yuhui, Lent, Craig S., Henderson, Kenneth W.
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container_end_page 15451
container_issue 51
container_start_page 15448
container_title Angewandte Chemie International Edition
container_volume 54
creator Christie, John A.
Forrest, Ryan P.
Corcelli, Steven A.
Wasio, Natalie A.
Quardokus, Rebecca C.
Brown, Ryan
Kandel, S. Alex
Lu, Yuhui
Lent, Craig S.
Henderson, Kenneth W.
description 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. Zwitterionic molecular switches: A neutral mixed‐valence compound has been synthesized and characterized. Spectroscopic data, in conjunction with TD‐DFT calculations, indicate a bridge‐mediated charge transfer that allows for an all‐neutral null state vital to QCA molecular switch applications.
doi_str_mv 10.1002/anie.201507688
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source Wiley Online Library Journals Frontfile Complete
subjects Automata theory
Carborane
carboranes
Cellular automata
Computer applications
Electron transfer
mixed-valence compounds
Molecular machines
QCA
Scanning tunneling microscopy
STM
Switches
zwitterions
title Synthesis of a Neutral Mixed-Valence Diferrocenyl Carborane for Molecular Quantum-Dot Cellular Automata Applications
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