114299-82-0

Basic information

• Product Name: {(C₅Me₅)2Fe₂S₄}{BF₄}2
• Synonyms: {(C₅Me₅)2Fe₂S₄}{BF₄}2
• CAS NO: 114299-82-0
• Molecular Weight: 684.025
• Mol File: 114299-82-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: {(C₅Me₅)2Fe₂S₄}{BF₄}2(CAS DataBase Reference)
• NIST Chemistry Reference: {(C₅Me₅)2Fe₂S₄}{BF₄}2(114299-82-0)
• EPA Substance Registry System: {(C₅Me₅)2Fe₂S₄}{BF₄}2(114299-82-0)

Safety Data

• Hazardous Substances Data: 114299-82-0(Hazardous Substances Data)

Upstream product

• 1282-37-7 ferrocenium(III) tetrafluoroborate 
• 99248-81-4 (η5-C5Me5)2Fe2(μ-η1-S2)(μ-η2-S2) 

Relevant articles and documents

Investigation into the redox behavior of Cp*2Fe2(μ-η1-S2) (μ-η2-S2) (Cp* = η5-C5Me5): An unexpected reversible η1 ? η2 rearrangement of a disulfur bridge

Reaction of Cp*2Fe2(μ-η1-S2) (μ-η2-S2) with oxidizing agents, e.g. Br2, I2, and (C5H5)2Fe+X- (X = PF6, BF4), gives the dicationic complex Cp*2Fe2S42+ along with the corresponding counteranions. An X-ray structure investigation on [Cp*2Fe2S4]I2 reveals that the originally η1-bonded S2 ligand has been converted into a η2-S2 bridge by a 90° rotation. As a consequence of enhanced stereochemical constraints, the Fe-Fe distance is reduced by 0.7 A? to 2.883 (3) A? during this reaction. As can be shown from cyclic voltammetry experiments, the oxidation occurs in two one-electron steps well separated from each other (0.25 and 1.24 V, CH2Cl2, SCE). The main pathway for this process is the disproportionation of the intermediate monocation Cp*2Fe2S4+ (I+), which appears to be assisted by nucleophilic agents, e.g. CH3CN and I-. It was impossible to synthesize I+ in bulk quantities. With strong reducing agents, e.g. CH3Li and Li2S2, [Cp*2Fe2S4]I2 is reduced to Cp*2Fe2S4 in good yields. These results are evidence for an unprecedented reversible η1-S2 ? η2-S2 rearrangement that is induced by electron-transfer processes.