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Electrochemical Properties and Structure of Multi-Ferrocenyl Phosphorus Thioesters

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Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences, 8 Arbuzov St., 420088 Kazan, Russia
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A.M. Butlerov Chemistry Institute of the Kazan Federal University, Kremlevskaya str. 18, 420008 Kazan, Russia
*
Author to whom correspondence should be addressed.
Academic Editor: Antal Csámpai
Molecules 2020, 25(4), 939; https://doi.org/10.3390/molecules25040939
Received: 22 January 2020 / Revised: 14 February 2020 / Accepted: 17 February 2020 / Published: 19 February 2020
(This article belongs to the Special Issue Ferrocenes: Synthesis, Characterisation and Application)
The reaction of triferrocenylthiophosphite with elemental sulfur leads to triferrocenyltetrathiophosphate. The molecule of tetrathiophosphate adopts propeller-like all synclinal-conformation of the ferrocenyl fragments respective to the P=S bond. All ferrocenyl groups have nearly ideal eclipsed conformation of the cyclopentadienyl fragments. The Fc3S3P (1), Fc3S3P=O, (2) and Fc3S3P=S (3) demonstrate three reversible and well-separated ferrocenyl-based redox events. The electronic structures of 13 have been studied quantum-chemically; the energies and composition of frontier orbitals have been calculated. View Full-Text
Keywords: multi-ferrocenyl compounds; phosphorus thioesters; DFT calculations; cyclic voltammetry; tetrathiophosphate multi-ferrocenyl compounds; phosphorus thioesters; DFT calculations; cyclic voltammetry; tetrathiophosphate
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Shekurov, R.; Khrizanforov, M.; Gerasimova, T.; Yamaleeva, Z.; Ivshin, K.; Lakomkina, A.; Bezkishko, I.; Kononov, A.; Sinyashin, O.; Budnikova, Y.; Kataeva, O.; Miluykov, V. Electrochemical Properties and Structure of Multi-Ferrocenyl Phosphorus Thioesters. Molecules 2020, 25, 939.

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