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Russian Journal of Organic Chemistry

, Volume 41, Issue 8, pp 1175–1182 | Cite as

Structure and Stability of Complexes of N,N′-Di(9-anthrylmethyl)-1,2-diaminoethane with Cations of Metals from IIB group: Quantum-chemical Study

  • T.N. Gribanova
  • A.D. Dubonosov
  • I.E. Tolpygin
  • V.P. Rybalkin
  • V.A. Bren'
  • R.M. Minyaev
  • V.I. Minkin
Article

Abstract

Structural and energy characteristics of N,N′-di(9-anthrylmethyl)-1,2-diaminoethane complexes with Z2+, Cd2+, and Hg2+ cations were investigated applying the method DFT (B3LYP/LanL2DZ). The interaction of the diamine with the metal cations results in formation of complexes with various types of structures containing a di-, tri-, or tetracoordinated metal, the latter complexes being the most stable. In all types of complexes the energy of complexing decreases in the series Zn2+, Hg2+, Cd2+ and is determined by combined effect of steric and orbital factors.

Keywords

Organic Chemistry Combine Effect Diamine Metal Cation Energy Characteristic 
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.

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Copyright information

© MAIK "Nauka/Interperiodica" 2005

Authors and Affiliations

  • T.N. Gribanova
    • 1
  • A.D. Dubonosov
    • 2
  • I.E. Tolpygin
    • 2
  • V.P. Rybalkin
    • 1
  • V.A. Bren'
    • 1
  • R.M. Minyaev
    • 1
  • V.I. Minkin
    • 1
  1. 1.Research Institute of Physical and Organic ChemistryRostov State UniversityRostov-on-DonRussia
  2. 2.Southern Scientific CenterRussian Academy of SciencesRostov-on-DonRussia

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