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13 C magic angle spinning NMR investigations of thiourea inclusion compounds
Author(s) -
Müller Klaus
Publication year - 1992
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260300307
Subject(s) - chemistry , thiourea , cyclohexanes , molecule , magic angle spinning , nuclear magnetic resonance spectroscopy , crystallography , cyclohexane , methylcyclohexane , carbon 13 nmr satellite , computational chemistry , stereochemistry , fluorine 19 nmr , organic chemistry , toluene
Thiourea inclusion compounds of three monosubstituted cyclohexanes were studied by 13 C 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.