The Crystal Structure of Dibenzo-14-Crown-4, A Preorganized Basis of Square Pyramid Coordination for Lithium Ions

  • N. Kent Dalley
  • Weiming Jiang
  • Uriel Olsher
Part of the Advances in Inclusion Science book series (AIS, volume 7)


Dibenzo-14-crown-4 (DBI4C4) has a high selectivity for Li+. The rigidity of the molecule caused by the two benzene rings suggests that this is a preorganized ligand for metal ions and particularly for Li+. A single crystal structure study of the molecule was performed. The crystal data are: space group P21, a = 12.811(2), b = 5.106(1), c = 12.816(3)Å, ß = 115.44(1)°, V = 757.0(2)Å3 with Z = 2. The structure was refined to R = 0.049 and R w = 0.058 using 1804 unique data with F < 4δ(F). The conformation of the free ligand was found to be similar to that of the complexed ligand and the conformational parameters of the free ligand and its derivatives are compared to Li+ complexes of the ligand and its derivatives.

Key words

X-ray crystal structure dibenzo-14-crown-4 preorganized ligand Li+ binding 


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Copyright information

© Springer Science+Business Media Dordrecht 1992

Authors and Affiliations

  • N. Kent Dalley
    • 1
  • Weiming Jiang
    • 1
  • Uriel Olsher
    • 2
  1. 1.Department of ChemistryBrigham Young UniversityProvoUSA
  2. 2.Department of Chemical ServicesThe Weizmann Institute of ScienceRehovotIsrael

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