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Quantum chemical study of ferrocene derivatives 1. Arylation reactions with aminobenzoic acids

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Abstract

Quantum chemical calculations of arylation reactions of ferrocene with three aminobenzoic acid isomers were carried out. Based on the results of the calculations using HF/3-21G, DFT/ B3LYP/3-21G and their comparison with experimentally obtained data, the causes of the difference in the yields of isomer reaction products in the gas phase and in a solution were analyzed.

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Authors and Affiliations

  1. Z. M. Babur Andijan State University, 129 ul. Universitet, 170100, Andijan, Republic of Uzbekistan

    M. Kh. Mamarakhmonov, A. M. Djurayev & I. R. Askarov

  2. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 119991, Moscow, Russian Federation

    L. I. Belen´kii & N. D. Chuvylkin

Authors
  1. M. Kh. Mamarakhmonov
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  2. L. I. Belen´kii
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  3. A. M. Djurayev
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  4. N. D. Chuvylkin
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  5. I. R. Askarov
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Corresponding author

Correspondence to M. Kh. Mamarakhmonov.

Additional information

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 0721—0723, April, 2017.

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Mamarakhmonov, M.K., Belen´kii, L.I., Djurayev, A.M. et al. Quantum chemical study of ferrocene derivatives 1. Arylation reactions with aminobenzoic acids. Russ Chem Bull 66, 721–723 (2017). https://doi.org/10.1007/s11172-017-1799-3

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  • DOI: https://doi.org/10.1007/s11172-017-1799-3

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