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Tetrakis(ferrocenylethynyl)ethene:synthesis, spectro)electrochemical and quantum chemical characterisation

Vincent, K. B., Gluyas, J. B. G., Guckel, S., Zeng, Q., Hartl, F., Kaupp, M. and Low, P. J. (2016) Tetrakis(ferrocenylethynyl)ethene:synthesis, spectro)electrochemical and quantum chemical characterisation. Journal of Organometallic Chemistry, 821. pp. 40-47. ISSN 0022-328X

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To link to this item DOI: 10.1016/j.jorganchem.2016.04.018


Tetrakis(ferrocenylethynyl)ethene (1) has been prepared in four steps from ethynyl ferrocene (2). In a dichloromethane solution containing 10–1 M NBu4[PF6], only a single oxidation process is observed by cyclic voltammetry, corresponding to the independent oxidation of the four ferrocenyl moieties. However, in dichloromethane containing 10–1 M NBu4[BArF4] electrolyte, where [BArF4]– is the weakly associating anion [B{C6H3(CF3)2-3,5}4]–, four distinct oxidation processes are resolved, although further spectroelectrochemical investigation revealed essentially no through bond interaction between the individual ferrocenyl moieties. Quantum chemical treatment of 1 identified several energetic minima corresponding to different relative orientations of the ferrocenyl moieties and the plane of the all-carbon bridging fragment. Further computational investigation of the corresponding monocation [1]+ supported the notion of charge localisation with no evidence for significant through bond electronic interactions.

Item Type:Article
Divisions:Interdisciplinary centres and themes > Chemical Analysis Facility (CAF)
Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:68155


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