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Conformational equilibria in the solid state: Conformational equilibrium in bicyclo[3.3.1]nonane derivatives studied by solid‐state spectroscopy
Author(s) -
Riddell Frank G.,
Rogerson Martin
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.1260301108
Subject(s) - chemistry , bicyclic molecule , nonane , solid state , nuclear magnetic resonance spectroscopy , spectroscopy , ring flip , ring (chemistry) , solid state nuclear magnetic resonance , nitrogen inversion , crystallography , computational chemistry , stereochemistry , nuclear magnetic resonance , organic chemistry , physics , quantum mechanics , nitrogen
Several derivatives of bicyclo [3.3.1]nonan‐9‐one were examined by CP/MAS NMR spectroscopy in the solid state. Contrary to an earlier report based on X‐ray crystallography, no conclusive evidence was found for the existence of a chair/chair‐chair/boat equilibrium in the temperature range −100 to +20 °C. It is concluded that if such solidstate equilibria exist they have free energies of activation for ring inversion in the solid of less than 31 kJ mol −1 .