A recently developed method to calculate singlet and triplet gauge-origin᎐independent magnetic properties of solvated molecules is applied to the study of those parameters that determine an observed nuclear magnetic resonance signal: the magnetizability, the nuclear shieldings, and the indirect spin
Substituent effects on the 15N NMR Parameters of Azoles
✍ Scribed by ROSA MARÍA CLARAMUNT; DIONISIA SANZ; CONCEPCIÓN LÓPEZ; JOSÉ ANTONIO JIMÉNEZ; MARÍA LUISA JIMENO*; JOSÉ ELGUERO; ALAIN FRUCHIER
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 456 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
The 15N chemical shifts and a large collection of coupling constants pertaining to azoles have been gathered from the literature. To complete this collection and to check some anomalies, the spectra of 14 compounds in several solvents were recorded again and 31 compounds were studied for the first time ; in all, data for 420 compounds (pyrroles, imidazoles, pyrazoles, triazoles, tetrazoles, indoles, benzimidazoles, indazoles, benzotriazoles and carbazoles) are reported. Additive models are used to discuss the substituent chemical shifts.
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