Beilstein J. Org. Chem.2022,18, 1499–1504, doi:10.3762/bjoc.18.157
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-ferrocenylcompounds; phosphorus thioesters; trithiophosphite; X-ray
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Graphical Abstract
Figure 1:
ORTEP representation of triferrocenyl trithiophosphite showing 50% probability thermal ellipsoids.