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Quantum chemical studies on (SN)x

  • VII. Polysulfur Nitride, (SN)x
  • Conference paper
  • First Online:
Organic Conductors and Semiconductors

Part of the book series: Lecture Notes in Physics ((LNP,volume 65))

Abstract

The self-consistent-field (SCE) ab initio Hartree-Fuck crystal orbital method is applied with success to polysulfur nitride (SN)x, chains using non-local exchange and evaluating all integrals over atomic orbitals within 5 atomic neighbours accurately.

Furthermore, on the basis of a systematic combination of chemical. arguments and results of molecular orbital calculations the (HP - CN)2 ring is suggested as possibly the most stable analogue of (S - N)2, the precursor of (SN)x.

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Author information

Authors and Affiliations

  1. Central Research Institute for Chemistry of the Hungarian Academy of Sciences, Budapest, Hungary

    M. Kertész

  2. B. Kidrič Chemical Institute, Yugoslavia

    A. Ažman & J. Koller

  3. Department of Physical Chemistry, Technical University, Budapest, Hungary

    Á. I. Kiss

Authors
  1. M. Kertész
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  2. A. Ažman
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  3. Á. I. Kiss
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  4. J. Koller
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Editor information

L. Pál G. Grüner A. Jánossy J. Sólyom

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© 1977 Akadémiai Kiadó

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Kertész, M., Ažman, A., Kiss, Á.I., Koller, J. (1977). Quantum chemical studies on (SN)x. In: Pál, L., Grüner, G., Jánossy, A., Sólyom, J. (eds) Organic Conductors and Semiconductors. Lecture Notes in Physics, vol 65. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0012417

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  • DOI: https://doi.org/10.1007/BFb0012417

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-08255-2

  • Online ISBN: 978-3-540-37342-1

  • eBook Packages: Springer Book Archive

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