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Analysis of the temperature dependence of the NMR spectra in intra- and intermolecular exchanges in 1,4-dimethylhexahydro-l,2,4, 5-tetrazine with an electronic computer

  • Physical Chemistry
  • Published:
Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    A general program was compiled for the calculation of the NMR spectra in systems with intermolecular exchange.

  2. 2.

    The rates and parameters of the activation of intramolecular topomerization and intermolecular proton exchange in l,4-dimethylhexahydro-l,2,4,5-tetrazine (HHT) were determined by an analysis of the exchange broadenings in the PMR spectra on an electronic computer.

  3. 3.

    The limiting step of the indicated processes is inversion of nitrogen atoms. The peculiarities of the conformational structure of HHT are discussed.

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Authors and Affiliations

  1. Branch of the Institute of Chemical Physics, Academy of Sciences of the USSR, Chernogolovka

    S. I. Al'ber, G. V. Lagodzinskaya, G. B. Manelis & É. B. Fel'dman

Authors
  1. S. I. Al'ber
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  2. G. V. Lagodzinskaya
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  3. G. B. Manelis
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  4. É. B. Fel'dman
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 8, pp. 1719–1724, August, 1974.

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Al'ber, S.I., Lagodzinskaya, G.V., Manelis, G.B. et al. Analysis of the temperature dependence of the NMR spectra in intra- and intermolecular exchanges in 1,4-dimethylhexahydro-l,2,4, 5-tetrazine with an electronic computer. Russ Chem Bull 23, 1642–1647 (1974). https://doi.org/10.1007/BF00923180

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  • DOI: https://doi.org/10.1007/BF00923180

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