Skip to main content
SpringerLink
Log in

The Chemical State of Sulfur in Cadmium Dithiocarbamate

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

Abstract

The chemical state of sulfur atoms in cadmium dithiocarbamate is analyzed. The cadmium dithiocarbamate molecule and its atomic and geometrical structural analog, tetramethylthiuram disulfide, are modeled by the semiempirical PM3 and ab initio DFT methods. The results are analyzed by transforming the coefficients of the calculated wave function to new basis functions associated with the local geometry of sulfur atoms. SK β X-ray emission spectra have been constructed and analyzed. It is shown that in cadmium dithiocarbamate the sulfur atoms are in the same chemical state.

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. V. M. Byrko, Dithiocarbamates [in Russian], Nauka, Moscow (1984).

    Google Scholar 

  2. L. N. Mazalov, A. P. Sadovskii, V. I. Baranovskii, et al., Zh. Strukt. Khim., 15, No. 5, 805-809 (1974).

    Google Scholar 

  3. L. N. Mazalov, A. P. Sadovskii, V. I. Baranovskii, et al., ibid., 15, No. 1, 51-57 (1974).

    Google Scholar 

  4. G. K. Parygina, L. N. Mazalov, and G. F. Khudorozhko, Problems in Modern Bioinorganic Chemistry [in Russian], Nauka, Novosibirsk (1979), pp. 41-47.

    Google Scholar 

  5. A. A. Glinskaya, S. M. Zemskova, G. F. Klevtsova, et al., Zh. Strukt. Khim., 40, No. 6, 1206-1212 (1999).

    Google Scholar 

  6. É. N. Yurchenko, N. V. Khitrich, G. K. Parygina, et al., Izv. Sib. Otd. Ross. Akad. Nauk, Ser. Khim., No. 4, 89-93 (1988).

    Google Scholar 

  7. L. Pauling, J. Am. Chem. Soc., 53, 1367 (1931).

    Google Scholar 

  8. L. Pauling, The Nature of the Chemical Bond, Cornell University, Ithaca (1960).

    Google Scholar 

  9. R. McWeeny, Coulson's Valence, Oxford University, London (1979).

    Google Scholar 

  10. K. Mislow, Introduction to Stereochemistry, Benjamin, New York (1966).

    Google Scholar 

  11. L. N. Mazalov, G. K. Parygina, É. S. Fomin, et al., Zh. Strukt. Khim., 39, No. 6, 1121-1126 (1988).

    Google Scholar 

  12. E. S. Fomin, G. K. Parygina, and L. N. Mazalov, 3rd Russian-German Seminar on Electron and X-ray Spectroscopy, Ekaterinburg (1999), p. 31.

  13. B. Y. Wang and J. H. Liao, Acta Crystallogr., B45, 65-69 (1989).

    Google Scholar 

  14. J. J. Stewart, MOPAC 6, QCPE #455.

  15. A. D. Becke, Phys. Rev., A38, 3098-3102 (1988); A. D. Becke, J. Chem. Phys., 98, 1372-1379 (1993).

    Google Scholar 

  16. P. J. Hay and W. R. Wadt, J. Chem. Phys., 82, 299-305 (1985).

    Google Scholar 

  17. JAGUAR 3.5, Schrodinger, Portland, OR (1998).

  18. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, and F. Weinhold, NBO 4.0, University of Wisconsin, Madison (1996). 938

    Google Scholar 

Download references

Authors
  1. É. S. Fomin
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. L. N. Mazalov
    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

Fomin, É.S., Mazalov, L.N. The Chemical State of Sulfur in Cadmium Dithiocarbamate. Journal of Structural Chemistry 41, 934–938 (2000). https://doi.org/10.1023/A:1010342519605

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1010342519605

Keywords

Search

Navigation