Contributions of internal motions to molecular dynamics in solution. A nuclear magnetic resonance investigation
โ Scribed by Claudio Rossi
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 312 KB
- Volume
- 193
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The dynamical properties of piroxicam in solution were investigated on the basis of carbon spin-lattice relaxation data. In order to account for the complex molecular motion, an analysis based on Woessner's equation is proposed. Correlation times describing overall reorientation and internal motions were determined. Our results demonstrate the existence of a unique molecular axis for internal reorientation, and enable geometrical correlations based on the calculated effective correlation times to be defined.
๐ SIMILAR VOLUMES
Conformational features of diltiazem in D2O have been delineated by measuring 13C and 1H NMR parameters. The data obtained by interpretation of spin-lattice relaxation rates and 13C-[1H] nuclear Overhauser effects were used to build a model of the most probable arrangement in solution. The molecular