Synthesis, Structure, and Electrochemical Properties of 2,3,4,5-Tetraphenyl-1-Monophosphaferrocene Derivatives

Almaz A Zagidullin; Alena R Lakomkina; Mikhail N Khrizanforov; Robert R Fayzullin; Kirill V Kholin; Tatiana P Gerasimova; Ruslan P Shekurov; Ilya A Bezkishko; Vasili A Miluykov

doi:10.3390/molecules28062481

Synthesis, Structure, and Electrochemical Properties of 2,3,4,5-Tetraphenyl-1-Monophosphaferrocene Derivatives

Molecules. 2023 Mar 8;28(6):2481. doi: 10.3390/molecules28062481.

Authors

Affiliations

¹ Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences, 8 Arbuzov Street, 420088 Kazan, Russia.
² A.M. Butlerov Chemistry Institute of the Kazan Federal University, 18 Kremlevskaya Street, 420008 Kazan, Russia.
³ Department of Physics, Kazan National Research Technological University, 68 Karl Marx Street, 420015 Kazan, Russia.

Abstract

Heteroleptic 2,3,4,5-tetraphenyl-1-monophosphaferrocene [FeCp(η⁵-PC₄Ph₄)] was obtained at a 62% yield through the reaction of lithium 2,3,4,5-tetraphenyl-1-monophosphacyclopentadienide Li(PC₄Ph₄) (1) with [FeCp(η⁶-C₆H₅CH₃)][PF₆]. The structure of 1-monophosphaferrocene 2 and its W(CO)₅-complex 3 were confirmed by multinuclear NMR and single-crystal X-ray diffraction study and further supported by DFT calculations. Cyclic voltammetry demonstrated that [FeCp(η⁵-PC₄Ph₄)] 2 has a quasi-reversible oxidation wave. The comparison of the properties of phosphaferrocene 2 with those of W(CO)₅-complex 3 shows the possibility of changing the coordination type during oxidation.

Keywords: DFT calculations; ESR; X-ray structure; electrochemical properties; phosphaferrocenes.

Grants and funding

21-73-10204/Russian Science Foundation