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Automated analysis of high‐resolution NMR spectra III—the nematic phase spectra of three allyl halides
Author(s) -
Stephenson David S.,
Binsch Gerhard
Publication year - 1980
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270140315
Subject(s) - liquid crystal , bromide , nmr spectra database , halide , spectral line , chemistry , allyl bromide , phase (matter) , molecule , isotropy , resolution (logic) , allyl chloride , fluorine 19 nmr , carbon 13 nmr , proton nmr , nuclear magnetic resonance spectroscopy , organic chemistry , materials science , physics , optics , optoelectronics , astronomy , artificial intelligence , computer science , catalysis
Abstract In recent publications we have described a novel method of analysis for high‐resolution NMR spectra of compounds in isotropic solution which differs from conventional procedures in that it exploits the full information content of a spectrum and does not require assignments of energy levels or transitions. We now present a further development of this technique which also makes it applicable to the NMR spectra of molecules partially oriented in liquid crystal solvents. Illustrative applications are reported for the nematic phase spectra of allyl fluoride, allyl chloride and allyl bromide. The results are discussed in terms of various theoretical models of the interplay between the internal and overall rotations of the conformationally mobile solutes.