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Assignment of Phosphorus NMR Parameters to Absolute Configurations in Chiral Phosphorus Sulfide Cage Compounds, using Ab Initio Methods

Bruce W. Tattershall
Z. Anorg. Allg. Chem. 2005, 631, 1627-1632

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Rotatable 3D molecular structure diagrams for α-P4S3(μ-NCH(Me)Ph)   (Compound 4)

Diastereomer
Rotamer
RHF/3-21G*
MPW1PW91/DZVP
4(RR)S
r1
 
 

Rotatable 3D molecular structure diagrams for β-P4S3(μ-NCH(Me)Ph)   (Compound 5(RS)S)

Rotamer
RHF/3-21G*
MPW1PW91/DZVP
r1