Switchable Electron-Transfer Processes in a Mixed-Valence, Kinetically Locked, Trinuclear RuII Metallamacrocycle

2004 ◽  
Vol 43 (30) ◽  
pp. 3938-3941 ◽  
Author(s):  
Naz Shan ◽  
Steven J. Vickers ◽  
Harry Adams ◽  
Michael D. Ward ◽  
Jim A. Thomas
Keyword(s):  
Electron Transfer ◽  
Mixed Valence ◽  
Transfer Processes ◽  
Electron Transfer Processes

Switchable Electron-Transfer Processes in a Mixed-Valence, Kinetically Locked, Trinuclear RuII Metallamacrocycle

2004 ◽  
Vol 116 (30) ◽  
pp. 4028-4031 ◽  
Author(s):  
Naz Shan ◽  
Steven J. Vickers ◽  
Harry Adams ◽  
Michael D. Ward ◽  
Jim A. Thomas
Keyword(s):  
Electron Transfer ◽  
Mixed Valence ◽  
Transfer Processes ◽  
Electron Transfer Processes

COMPUTATIONAL STUDY OF BRIDGE-MEDIATED INTERVALENCE ELECTRON TRANSFER II: COUPLINGS IN DIFFERENT METALLOCENE COMPLEXES

2012 ◽  
Vol 11 (06) ◽  
pp. 1341-1356 ◽  
Author(s):  
YINXI YU ◽  
HAOBIN WANG ◽  
SHAOWEI CHEN
Keyword(s):  
Electron Transfer ◽  
Density Functional ◽  
Computational Study ◽  
Mixed Valence ◽  
Functional Theory ◽  
Transfer Processes ◽  
Mediated Electron Transfer ◽  
Bridge Structures ◽  
Electron Transfer Processes ◽  
The Relationship

The constrained density functional theory (CDFT) was used to study bridge-mediated electron transfer processes in mixed-valence systems with two identical metallocene (cobaltocene, ruthenocene, and nickelocene) moieties linked by various bridge structures. Based on the electronic coupling matrix elements obtained from the CDFT calculations, the relationship between the bridge linkage and the effectiveness of intervalence transfer was discussed.

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