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

被引：47

作者：

Christie, John A. ^{[1
]}

Forrest, Ryan P. ^{[1
]}

Corcelli, Steven A. ^{[1
]}

Wasio, Natalie A. ^{[1
]}

Quardokus, Rebecca C. ^{[1
]}

Brown, Ryan ^{[1
]}

Kandel, S. Alex ^{[1
]}

Lu, Yuhui ^{[3
]}

Lent, Craig S. ^{[2
]}

Henderson, Kenneth W. ^{[1
]}

机构：

[1] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA

[2] Univ Notre Dame, Dept Elect Engn, Notre Dame, IN 46556 USA

[3] Coll Holy Cross, Dept Chem, Notre Dame, IN 46556 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2015年 / 54卷 / 51期

基金：

美国国家科学基金会;

关键词：

carboranes; mixed-valence compounds; QCA; STM; zwitterions; DENSITY-FUNCTIONAL THEORY; ELECTRON-TRANSFER; COMPLEXES; CRYSTAL; SYSTEMS; ZWITTERIONS;

D O I：

10.1002/anie.201507688

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The preparation of 7-Fc(+)-8-Fc-7,8-nido-[C2B9H10](-) (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.

引用

页码：15448 / 15451

页数：4

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