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Updated: Dec 17, 2025

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
Published on: April 10, 2015
Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR3)4]2- (M = Fe, Ru; R = Ph, C6F5)
Danh X Ngo1, Sarah A Del Ciello1, Alexandra T Barth1
1Beckman Institute, and Division of Chemistry and Chemical Engineering, California Institute of Technology, 1200 East California Boulevard, Mail Code 139-74, Pasadena, California 91125, United States.
Abstract:
Complexes with the formula [M(diimine)(CN-BR3)4]2-, where diimine = bipyridine (bpy), phenanthroline (phen), 3,5-trifluoromethylbipyridine (flpy), R = Ph, C6F5, and M = FeII, RuII, were synthesized and characterized by X-ray crystal structure analysis, UV-visible spectroscopy, IR spectroscopy, and voltammetry. Three highly soluble complexes, [FeII(bpy)(CN-B(C6F5)3)4]2-, [RuII(bpy)(CN-B(C6F5)3)4]2-, and [RuII(flpy)(CN-B(C6F5)3)4]2-, exhibit electrochemically reversible redox reactions, with large potential differences between the bpy0/- or flpy0/- and MIII/II couples of 3.27, 3.52, and 3.19 V, respectively. CASSCF+NEVPT2 calculations accurately reproduce the effects of borane coordination on the electronic structures and spectra of cyanometallates.
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