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Nuclear quadrupole resonance of35Cl and quantum-chemical calculations of chloronitroacetic acid derivatives

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

Functional correlations have been obtained that relate the NMR frequencies of the35Cl of chloronitro compounds to the distribution parameters of the electron density in the molecule, such as Taft′s induction constants σ*, the charges on the atoms, and the electric field gradients.

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Authors and Affiliations

  1. Institute of Physiologically Active Substances, Academy of Sciences of the USSR, Chernogolovka

    V. I. Shestov, I. V. Martynov, A. I. Yurtanov, A. M. Raevskii & G. B. Manelis

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  1. V. I. Shestov
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  2. I. V. Martynov
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  3. A. I. Yurtanov
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  4. A. M. Raevskii
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  5. G. B. Manelis
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 9, pp. 1998–2001, September, 1987.

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Shestov, V.I., Martynov, I.V., Yurtanov, A.I. et al. Nuclear quadrupole resonance of35Cl and quantum-chemical calculations of chloronitroacetic acid derivatives. Russ Chem Bull 36, 1851–1854 (1987). https://doi.org/10.1007/BF00958328

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  • DOI: https://doi.org/10.1007/BF00958328

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