The Structure And Ring-Puckering Vibration Of Thietane As Studied By H-1 And C-13 Nmr-Spectra Of The Oriented Molecule

The 1H and 13C NMR spectra of partially oriented thietane have been recorded and analysed. The molecular structure was determined assuming the molecule to be planar and rigid. Because of the unsatisfactory fit of the dipolar coupling constants, a model which also takes into account the ring-puckering vibration was applied. This model leads to a better fit, but also to long CH distances. Consequently, it seems that the one-dimensional ring-puckering model does not on its own explain the differences between the experimental and calculated coupling constants.