1H, 13C and 15N NMR spectroscopy and tautomerism of nitrobenzotriazoles |
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| Authors: | Lyudmila I. Larina Viktor Milata |
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| Affiliation: | 1. A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, 664033, Russian Federation, Irkutsk;2. Department of Organic Chemistry, Slovak University of Technology, Radlinskeho 9, SK‐812 37 Bratislava, Slovak Republic |
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| Abstract: | Benzotriazole nitro derivatives were prepared by nitration of the corresponding benzotriazoles and by methylation or cyclization of appropriate nitro‐1,2‐phenylenediamines. Structures and tautomerism of the nitrobenzotriazoles were studied by multinuclear 1H, 13C, 15N, and 2D NMR spectroscopy and quantum chemistry. Copyright © 2008 John Wiley & Sons, Ltd. |
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| Keywords: | 4‐,5‐,6‐,7‐nitrobenzotriazoles nitration tautomeric equilibria structure 1H,13C and 15N NMR B3LYP/6‐311G** |
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