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Thermodynamic stability of indazole studied by NMR–NQR spectroscopy and ab initio calculations

✍ Scribed by J. N. Latosińska

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
135 KB
Volume
38
Category
Article
ISSN
0749-1581

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✦ Synopsis

The aim of this study was to verify whether NQR can be the method of identification as to which of the tautomeric forms 1H or 2H of indazole occurs in a given solid-state substance. For this purpose, the enthalpy of formation and parameters characterizing the NQR spectra were calculated and compared with experimental data. The results prove that the calculations allow unambiguous identification of the two tautomeric forms.

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