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NMR structure of partially oriented tellurophene: Correction of molecular deformations and determination of bond interaction parameters
Author(s) -
Diehl P.,
Kellerhals M.,
Lounila J.,
Wasser R.,
Hiltunen Y.,
Jokisaari J.,
Väänänen T.
Publication year - 1987
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.1260250313
Subject(s) - chemistry , molecule , anisotropy , molecular geometry , liquid crystal , computational chemistry , solvent effects , solvent , stereochemistry , organic chemistry , optics , physics
Solvent effects on the NMR geometry of tellurophene due to correlation between vibration and rotation have been determined and corrected in various liquid crystals, resulting in a unique solvent‐independent structure. Simultaneously, the bond interaction parameters, which describe the torques acting on the bonds of the molecule in the anisotropic liquid crystal potential (giving rise to deformations and to the molecular orientation), have been measured. A linear relationship has been detected between the CH bond interaction parameters for tellurophene and for methane in the same solvents.