Coupling Constants vs Epsilon Angle

Due to steric restrictions, this torsion angle usually is present as gauche- or gauche+ rotamers. The epsilon (e) torsion angle can be derived from the 3JP3'-H3'3JP3'-C2' and 3JP3'-C4' coupling constants. In particular:

J(H3'-O-C-P)=15.3cos2(e+120)-6.2cos(e+120)+1.5

  • For trans ang gauche conformations, 3JP3'-H3' is similar (5 Hz)
  • 3JP3'-C2' and 3JP3'-C4' can be used to distinguish between the two conformers: 3JP3'-C4' is large for trans and small for gacuhe-, while the opposite behvior is expected for 3JP3'-C2'

    Some methods to measure them are: