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Quantitative and Mechanistic Mechanochemistry in Ferrocene Dissociation

Quantitative and Mechanistic Mechanochemistry in Ferrocene Dissociation

Ye Sha, Yudi Zhang, Enhua Xu, Zi Wang, Tianyu Zhu, Stephen L Craig, Chuanbing Tang

ACS Macro Lett. 2018 Oct 16;7(10):1174-1179.

PMID: 31098336

Abstract:

Ferrocene is classically regarded as being highly inert owing to the large dissociation energy of metal-cyclopentadienyl (Cp) bonds. We show that the Fe-Cp bond in ferrocene is the preferential site of mechanochemical scission in the pulsed ultrasonication of main-chain ferrocene-containing polybutadiene-derived polymers. Quantitative studies reveal that the Fe-Cp bond is similar in strength to the carbon-nitrogen bond of an azobisdialkylnitrile (bond dissociation energy < -0 kcal/mol), despite the significantly higher Fe-Cp bond dissociation energy (approximately 90 kcal/mol). Mechanistic studies are consistent with a predominately heterolytic mechanism of chain scission. DFT calculations provide insights into the origins of ferrocene's mechanical lability.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP9003172	Polybutadiene		9003-17-2	Price

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