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
✍ Scribed by Raymond T Syvitski; E.Elliott Burnell
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 146 KB
- Volume
- 144
- Category
- Article
- ISSN
- 1090-7807
No coin nor oath required. For personal study only.
✦ Synopsis
We develop a strategy for analyzing complex nuclear magnetic resonance (NMR) spectra of several solutes codissolved in liquidcrystal 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 mand o-dichlorobenzene were calculated from the dipolar couplings.