νasNO2 IR band contour simulation for dichloronitromethane and difluoronitromethane in the gas phase

  • A. V. Yarkov
  • S. V. Trepalin
  • O. A. Raevskii
Brief Communications


Simulation of the vibration-rotational IR contours indicated that the major conformation for difluoronitromethane and dichoronitromethane is eclipsed.


Band Contour Major Conformation Contour Simulation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Literature cited

  1. 1.
    A. V. Yarkov, M. A. Belkin, V. I. Uvarov, et al., Izv. Akad. Nauk SSSR, Ser. Khim., No. 11, 2523 (1988).Google Scholar
  2. 2.
    W. A. Seth-Paul, J. Mol. Struct.,3, 403 (1969).Google Scholar
  3. 3.
    G. W. King, R. M. Hainer, and P. C. Cross, J. Chem. Phys.,11, 27 (1943).Google Scholar
  4. 4.
    P. C. Cross and R. M. Hainer, J. Chem. Phys.,12, No. 6, 210 (1944).Google Scholar
  5. 5.
    T. Ueda and T. Shimanouchi, J. Mol. Spectrosc.,28, 350 (1968).Google Scholar

Copyright information

© Plenum Publishing Corporation 1989

Authors and Affiliations

  • A. V. Yarkov
    • 1
  • S. V. Trepalin
    • 1
  • O. A. Raevskii
    • 1
  1. 1.Institute of Physiologically Active CompoundsAcademy of Sciences of the USSRChernogolovka

Personalised recommendations