P-N Bond Rotamers

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Phosphorus NMR and Ab Initio Modelling of P-N Bond Rotamers of a Sterically Crowded Chiral β-P₄S₃ Diamide

Bruce W. Tattershall, Julian G. Knight and Mark J. Andrews
Z. Anorg. Allg. Chem. 2007, 633, 1442-1450

Rotatable 3D molecular structure diagrams for exo,exo-β-P₄S₃(pthiq)₂ , diastereomer 3R(SR)R

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In the rotamer nomenclature used, CHPh to the left of the () symbol means a rotamer with 1-CHPh of the pthiq group, which is attached at P_B of the P₄S₃ skeleton, nearest to S_a
CH₂ to the right of the () symbol means a rotamer with 3-CH₂ of the pthiq group, which is attached at P_D of the P₄S₃ skeleton, nearest to S_a

Rotamer		RHF/3-21G*	MPW1PW91/SVP
CHPh()CH₂
CH₂()CH₂
CH₂()CHPh
CHPh()CHPh

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Phosphorus NMR and Ab Initio Modelling of P-N Bond Rotamers of a Sterically Crowded Chiral β-P4S3 Diamide

Rotatable 3D molecular structure diagrams for exo,exo-β-P4S3(pthiq)2 , diastereomer 3R(SR)R

Phosphorus NMR and Ab Initio Modelling of P-N Bond Rotamers of a Sterically Crowded Chiral β-P₄S₃ Diamide

Rotatable 3D molecular structure diagrams for exo,exo-β-P₄S₃(pthiq)₂ , diastereomer 3R(SR)R