The conformers of a nitrosamine and a carboxamide: Comparison of NMR line shape and equilibration methods
| Autor: | Helmut Muensch, H. G. Schmid, H. Friebolin, Andreas Jaeschke, Albrecht Mannschreck |
|---|---|
| Rok vydání: | 1969 |
| Předmět: |
Materials science
medicine.drug_class Chemical shift Analytical chemistry Carboxamide Atomic and Molecular Physics and Optics Spectral line Nuclear magnetic resonance medicine Physical and Theoretical Chemistry Conformational isomerism Spectroscopy Equilibrium constant Shape analysis (digital geometry) |
| Zdroj: | Journal of Molecular Spectroscopy. 31:14-31 |
| ISSN: | 0022-2852 |
| DOI: | 10.1016/0022-2852(69)90336-1 |
| Popis: | Activation parameters for the interconversion of conformers IA and IB of neopentylbenzylnitrosamine and of rotamers IIA and IIB of N ,2,4,6-tetramethyl- N -benzylbenzamide were determined by two techniques: Equilibration of pure IB (or IIA, respectively) and subsequent measurement of 1 H-NMR line shapes with the same sample. E a - and k 0 -values obtained by the two methods agree well within error limits, thus confirming the accuracy of rate determinations using NMR line shapes. Chemical shifts Δν, line widths b E , and equilibrium constants K were extrapolated to those temperatures at which they could not be measured directly. Line shape parameters were used for the evaluation of spectra. This method is shown to be preferable to the complete line shape analysis if the line broadening by field inhomogeneities is not taken into account by a convolution. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|