Title | Multiple quantum and high-resolution NMR, molecular structure, and order parameters of partially oriented ortho and meta dimethyl-, dichloro-, and chloromethylbenzenes codissolved in nematic liquid crystals |
Publication Type | Journal Article |
Year of Publication | 2000 |
Authors | Syvitski, RT, Burnell, EE |
Journal | Journal of Magnetic Resonance |
Volume | 144 |
Pagination | 58-73 |
Date Published | May |
Type of Article | Article |
ISBN Number | 1090-7807 |
Keywords | ELECTRIC-DIPOLE INTERACTIONS, EXCITATION, INTERNAL-ROTATION, NUCLEAR-MAGNETIC-RESONANCE, orientational order, PHASE, POTENTIALS, SELECTIVE, SOLUTES, SOLVENTS, TRANSITIONS |
Abstract | We develop a strategy for analyzing complex nuclear magnetic resonance (NMR) spectra of several solutes codissolved in liquid-crystal phases. Spectral parameters of solutes m- or o-xylene were estimated by analyzing 2D multiple-quantum NMR spectra using a modified version of a least-squares fitting routine which adjusts chemical shifts, order parameters, structural parameters, and/or dipolar couplings independently. These estimates were used to facilitate analysis of the high-resolution spectra which contain resonances from many solutes. Calculated spectra of m- or o-xylene were subtracted from the experimental high-resolution spectra leaving resonances from the other solutes readily visible, Accurate spectral parameters of all codissolved solutes were determined from the high-resolution spectra. Order parameters and structural parameters (including vibrationally corrected parameters) of m- and o-xylene, m- and o-chlorotoluene, and m- and o-dichlorobenzene were calculated from the dipolar couplings. (C) 2000 Academic Press. |
URL | <Go to ISI>://000087004900008 |