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Calculation of the normal vibrations and conformations of the (CH3O)2P(S)SH molecule

Conclusions

  1. 1.

    Frequencies and normal vibration forms have been calculated for various models of the (CH3O)2P(S)SH molecule, and the more probable conformations of this molecule were discussed.

  2. 2.

    Theoretical analysis shows that the band splitting observed in the IR spectra of such compounds can be due to rotational isomerism.

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Literature cited

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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 363–365, February, 1979.

The authors would like to thank L. S. Mayants for his interest in this work.

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Bulgakova, R.A., Shagidullin, R.R. Calculation of the normal vibrations and conformations of the (CH3O)2P(S)SH molecule. Russ Chem Bull 28, 334–337 (1979). https://doi.org/10.1007/BF00925878

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Keywords

  • Theoretical Analysis
  • Normal Vibration
  • Band Splitting
  • Rotational Isomerism
  • Probable Conformation