Skip to main content
SpringerLink
Log in

Force field for in-plane vibrations of isophthalonitrile

Kräftefeld für die nichtebenen Schwingungen von Isophthalsäuredinitril

  • Anorganische Und Physikalische Chemie
  • Published:
Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Summary

The general quadratic force field for the in-plane vibrations of isophthalonitrile was calculated by the semi-empirical MINDO/3 method. This force field was refined to the frequencies observed experimentally for isophthalonitrile and isotopic shifts of isophthalonitrile-15N2. The normal coordinates and the force field in internal coordinates were also calculated from the refined field.

Zusammenfassung

Das allgemeine quadratische Kräftefeld für die nichtebenen Schwingungen von Isophthalsäuredinitril wurde mit der halbempirischen MINDO/3-Methode berechnet. Das Kräftefeld wurde aufgrund der experimentalen Frequenzen von Isophtalsäuredinitril und der Isotopen-Verschiebungen von Isophtalsäuredinitril-15N2 verfeinert. Die Normalkoordinaten und das Kräftefeld in inneren Koordinaten wurden auch vom verfeinerten Kräftefeld berechnet.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Arenas J. F., Marcos J. I., Ramirez F. J. (1988) Can. J. Spectrosc.34 (in press)

  2. Castro Pedrozo M. C., King G. W. (1978) J. Mol. Spectrosc.73: 386

    Google Scholar 

  3. Kuczera K., Czerminski R. (1983) J. Mol. Struct.105: 269

    Google Scholar 

  4. Program FORCE by Komornicki A. Supplied by Olivella S., University of Barcelona, Spain

  5. Joint Commission for Spectroscopy (1955) J. Chem. Phys.23: 1977

    Google Scholar 

  6. Arenas J. F., Lopez-Navarrete J. T., Marcos J. I., Otero J. C. (1986) Spectrochim. Acta42A: 1343

    Google Scholar 

  7. Varsanyi G. (1969) Vibrational Spectra of Benzene Derivatives. Academic Press, New York

    Google Scholar 

  8. Byler D. M., Susi H., Damert W. C. (1987) Spectrochim. Acta43A: 861

    Google Scholar 

  9. Arenas J. F., Marcos J. I., Ramirez J. F. (1988) Coll. Czech. Chem. Comm.54: 18

    Google Scholar 

  10. Mills I. M., Duinker J. C. (1968) Spectrochim. Acta24A: 417

    Google Scholar 

  11. Painter P. C., Snyder R. W. (1980) Spectrochim. Acta36A: 337

    Google Scholar 

  12. Duncan J. L. (1964) Spectrochim. Acta20: 1197

    Google Scholar 

  13. Needham C. D., Overend J. (1966) Spectrochim. Acta22: 1383

    Google Scholar 

  14. Arenas J. F., Marcos J. I., Otero J. C., Cardenete A., Suero M. I. (1984) Can. J. Spectrosc.29: 157

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physical Chemistry, Faculty of Sciences, University of Málaga, E-29071, Málaga, Spain

    Juan F. Arenas, Juan I. Marcos & Francisco J. Ramirez

Authors
  1. Juan F. Arenas
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Juan I. Marcos
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Francisco J. Ramirez
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Arenas, J.F., Marcos, J.I. & Ramirez, F.J. Force field for in-plane vibrations of isophthalonitrile. Monatsh Chem 120, 273–281 (1989). https://doi.org/10.1007/BF00811739

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00811739

Keywords

Search

Navigation