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NMR and molecular structure of partially oriented mono and para methyl- and chlorobenzenes dissolved in nematic liquid crystals

TitleNMR and molecular structure of partially oriented mono and para methyl- and chlorobenzenes dissolved in nematic liquid crystals
Publication TypeJournal Article
Year of Publication1999
AuthorsSyvitski, RT, Burnell, EE
JournalCanadian Journal of Chemistry-Revue Canadienne De Chimie
Volume77
Pagination1761-1774
Date PublishedNov
Type of ArticleArticle
ISBN Number0008-4042
KeywordsELECTRIC-DIPOLE INTERACTIONS, EXCITATION, H-2 NMR, MAGNETIC-RESONANCE, MEAN TORQUE, molecular structure, MULTIPLE-QUANTUM NMR, nematic liquid crystal, NMR, ORDER MATRIX, order parameter, SELECTIVE, SOLUTES, SOLVENTS, SPECTRA
Abstract

Spectral parameters, order parameters, and structural parameters, including the vibrationally corrected r(alpha) structure of the partially oriented solutes p-xylene, p-chlorotoluene, p-dichlorobenzene, toluene, and chlorobenzene dissolved in three liquid crystal mixtures, are reported. For samples containing the three solutes p-xylene, p-dichlorobenzene, and 1,3,5-trichlorobenzene, multiple quantum (MQ) nuclear magnetic resonance was used to aid in the analysis of the complex high-resolution spectra of the g-xylene. The high-resolution spectra of 1,3,5-trichlorobenzene and p-dichlorobenzene were easily identified and analyzed once the calculated p-xylene spectrum was subtracted from the experimental one. The methyl groups of p-xylene, p-chlorotoluene, and toluene have similar geometries when the structure is determined from dipolar couplings corrected for harmonic vibrations.

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