13C magic angle spinning NMR investigations of thiourea inclusion compounds

Thiourea inclusion compounds of three monosubstituted cyclohexanes were studied by 13C magic angle spinning NMR spectroscopy. Variable‐temperature experiments were performed to evaluate the conformational and motional features of the various guest molecules. From a quantitative line‐shape analysis it is found that the halocyclohexanes with chloro and bromo substituents exist predominantly in the axial conformation whereas methylcyclohexane, as in solution, prefers the equatorial position. Generally, it could be shown that within the temperature range investigated the cyclohexane guest molecules undergo ring inversion processes with kinetic parameters almost unaffected by the host lattice.