15N NMR chemical shifts of NH‐pyrazoles in the solid state and in solution at low temperature
- 1 November 1994
- journal article
- research article
- Published by Wiley in Magnetic Resonance in Chemistry
- Vol. 32 (11) , 699-702
- https://doi.org/10.1002/mrc.1260321110
Abstract
The 15N chemical shifts of thirteen NH‐pyrazoles in the solid state and of seven NH‐pyrazoles in [2H8] THF solution at 170–175 K (with frozen annular tautomerism) are reported. The solid‐state values are discussed using an additive model. The differences in chemical shifts between the solid state and solution are due to the different intermolecular hydrogen bonds present in the various environments.Keywords
This publication has 11 references indexed in Scilit:
- The influence of the substituent at the nitrogen atom on the molecular structure of pyrazoles: a crystallographic statistical survey versus ab initio calculationsJournal of Molecular Structure, 1994
- Observation of a series of degenerate cyclic double, triple, and quadruple proton transfers in solid pyrazolesJournal of the American Chemical Society, 1992
- Temperature gradients and sample heating in variable temperature high speed MAS NMR spectroscopyJournal of Magnetic Resonance (1969), 1990
- A novel is N chemical-shift NMR thermometer for magic angle spinning experimentsJournal of Magnetic Resonance (1969), 1990
- Intermolecular triple proton and deuteron transfer in crystalline 3,5-dimethylpyrazole studied by NMR, NQR, and x-ray methodsJournal of the American Chemical Society, 1989
- 15N‐NMR Spectra of Azoles with Two HeteroatomsHelvetica Chimica Acta, 1983
- Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azolesThe Journal of Organic Chemistry, 1982
- Nitrogen-15 nuclear magnetic resonance spectroscopy. Effects of hydrogen bonding and protonation on nitrogen chemical shifts of pyrazolesThe Journal of Organic Chemistry, 1979
- External neat nitromethane scale for nitrogen chemical shiftsJournal of Magnetic Resonance (1969), 1977
- Nitrogen-15 nuclear magnetic resonance spectroscopy. Evaluation of chemical shift referencesJournal of Magnetic Resonance (1969), 1977