Organophosphorus chemistry: from model to application

• György Keglevich

Beilstein J. Org. Chem. 2023, 19, 89–90, doi:10.3762/bjoc.19.8

• -phosphaindolizine derivatives, with butadiene has been calculated by Bansal and co-workers using DFT [5]. Therein, the dienophilic reactivity of the N=P and P=C units of the heterocycles was in accordance with the experimental observations. Additionally, a novel triferrocenyl trithiophosphite was synthesized and

Comparison of crystal structure and DFT calculations of triferrocenyl trithiophosphite’s conformance

• Ruslan P. Shekurov,
• Mikhail N. Khrizanforov,
• Ilya A. Bezkishko,
• Tatiana P. Gerasimova,
• Almaz A. Zagidullin,
• Daut R. Islamov and
• Vasili A. Miluykov

Beilstein J. Org. Chem. 2022, 18, 1499–1504, doi:10.3762/bjoc.18.157

• Federal University, Kazan, 420008, 1/29 Lobachevskogo str., Russian Federation Laboratory for Structural Studies of Biomacromolecules, FRC Kazan Scientific Center of RAS, Lobachevskogo Street 2/31, Kazan 420111, Russian Federation 10.3762/bjoc.18.157 Abstract A triferrocenyl trithiophosphite was studied

• by X-ray single-crystal diffraction. Triferrocenyl trithiophosphite has nine axes of internal rotation: three P–S bonds, three C–S bonds and three Fe–cyclopentadienyl axes. Rotation around the P–S bonds results in a totally asymmetric structure with three ferrocenylthio groups exhibiting different

• orientations towards the phosphorus lone electron pair (LEP). A comparison of DFT calculations and X-ray diffraction data is presented, herein we show which conformations are preferred for a given ligand. Keywords: DFT calculations; multi-ferrocenyl compounds; phosphorus thioesters; trithiophosphite; X-ray