Theoretical and Experimental Chemistry

, Volume 25, Issue 1, pp 83–86 | Cite as

Quantum-chemical simulation of dicyanamide and tricyanomethanide ion solvation

  • S. V. Garbuz
  • V. V. Skopenko
  • V. D. Khavryuchenko
  • N. N. Gerasimchuk
Brief Communications

Abstract

SCF MO LCAO has been applied in the MNDO-WS approximation to calculate the spatial and electronic structures for solvates formed by dicyanamide and tricyanomethanide ions with alcohols, water, chloroform, and methylene chloride. The monosolvates formed by those anions are molecular complexes having medium-strength H bonds.

Keywords

Alcohol Methylene Chloride Chloroform Methylene Chloride 

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Copyright information

© Plenum Publishing Corporation 1989

Authors and Affiliations

  • S. V. Garbuz
    • 1
  • V. V. Skopenko
    • 1
  • V. D. Khavryuchenko
    • 1
  • N. N. Gerasimchuk
    • 1
  1. 1.Kiev UniversityUSSR

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