Electrochemical Properties and Structure of Multi-Ferrocenyl Phosphorus Thioesters
oleh: Ruslan Shekurov, Mikhail Khrizanforov, Tatiana Gerasimova, Zilya Yamaleeva, Kamil Ivshin, Alyona Lakomkina, Ilya Bezkishko, Aleksandr Kononov, Oleg Sinyashin, Yulia Budnikova, Olga Kataeva, Vasily Miluykov
| Format: | Article |
|---|---|
| Diterbitkan: | MDPI AG 2020-02-01 |
Deskripsi
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 Fc<sub>3</sub>S<sub>3</sub>P (<b>1</b>)<b>,</b> Fc<sub>3</sub>S<sub>3</sub>P=O, (<b>2</b>) and Fc<sub>3</sub>S<sub>3</sub>P=S (<b>3</b>) demonstrate three reversible and well-separated ferrocenyl-based redox events. The electronic structures of <b>1</b>−<b>3</b> have been studied quantum-chemically; the energies and composition of frontier orbitals have been calculated.