Electrochemical Properties and Structure of Multi-Ferrocenyl Phosphorus Thioesters

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 S P ( ) Fc S P=O, ( ) and Fc S P=S ( ) demonstrate three reversible and well-separated ferrocenyl-based redox events. The electronic structures of - have been studied quantum-chemically; the energies and composition of frontier orbitals have been calculated.