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Synthesis of a Neutral Mixed‐Valence Diferrocenyl Carborane for Molecular Quantum‐Dot Cellular Automata Applications
Author(s) -
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.
Publication year - 2015
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201507688
Subject(s) - quantum dot cellular automaton , chemistry , valence (chemistry) , ferrocene , quantum dot , counterion , chemical physics , carborane , crystallography , nanotechnology , materials science , ion , stereochemistry , electrochemistry , electrode , organic chemistry
The preparation of 7‐Fc + ‐8‐Fc‐7,8‐ nido ‐[C 2 B 9 H 10 ] − (Fc + FcC 2 B 9 − ) 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 + FcC 2 B 9 − 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 + FcC 2 B 9 − on Au(111) has been observed by scanning tunneling microscopy.