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Journal of Structural Chemistry

, Volume 50, Issue 1, pp 52–59 | Cite as

Structure of the Cu(Salen) molecule Cuo2N2C16H14 according to gas-phase electron diffraction data and quantum chemical calculations

  • N. I. Giricheva
  • G. V. GirichevEmail author
  • N. P. Kuzmina
  • Yu. S. Medvedeva
  • A. Yu. Rogachev
Article

Abstract

In the framework of synchronous gas-phase electron diffraction and mass spectrometry experiment, the saturated vapor of N,N′-ethylenebis(salicylaldiminate) copper(II) CuO2N2C16H14 is studied at a temperature T 574(5) K. It is found that evaporation is congruent and the saturated vapor consists of monomeric molecules. Electron diffraction data are proved to correspond to the geometric model for the CuO2N2C16H14 molecule of C 2 symmetry with an almost planar structure of the CuN2O2 coordination fragment and internuclear distances \( r_{h_1 } \)(Cu-O) = 1.917(13) Å and \( r_{h_1 } \)(Cu-N) = 1.931(15) Å. The stuctural parameters obtained are compared to those quantum chemically calculated and molecular parameters in crystals.

Keywords

structure Schiff bases CuO2N2C16H14 Cu(salen) electron diffraction quantum chemical calculations 

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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • N. I. Giricheva
    • 1
  • G. V. Girichev
    • 2
    Email author
  • N. P. Kuzmina
    • 3
  • Yu. S. Medvedeva
    • 1
  • A. Yu. Rogachev
    • 3
  1. 1.Ivanovo State UniversityIvanovoRussia
  2. 2.Ivanovo State University of Chemistry and TechnologyIvanovoRussia
  3. 3.M. V. Lomonosov Moscow State UniversityMoscowRussia

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