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Quantum-Chemical Study of the Structure of N-Substituted p-Quinonimines and Their Reactions with Hydrogen Halides

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Abstract

Quantum-chemical calculations and X-ray diffraction data for a series of N-substituted p-quinon-imines showed that the PM3 method is the most suitable for determination of geometric parameters of these compounds. Moreover, it can be used to predict the site of addition of chlorine and bromine in the hydrohalogenation reaction.

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Authors
  1. A. P. Avdeenko
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  2. S. A. Konovalova
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  3. K. S. Burmistrov
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  4. N. V. Toropin
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  5. A. V. Vakulenko
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Avdeenko, A.P., Konovalova, S.A., Burmistrov, K.S. et al. Quantum-Chemical Study of the Structure of N-Substituted p-Quinonimines and Their Reactions with Hydrogen Halides. Russian Journal of Organic Chemistry 40, 962–965 (2004). https://doi.org/10.1023/B:RUJO.0000045185.66716.6c

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  • DOI: https://doi.org/10.1023/B:RUJO.0000045185.66716.6c

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