Role of weak interactions in binding of aryldicarboxylate ion: Synthesis, spectroscopic characterization, single-crystal X-ray structure determination and packing analysis of [Co(phen)(2)CO3](2)(C8H4O4)center dot 15H(2)O

Raj Pal Sharma, Ajnesh Singh, Paloth Venugopalan, William T. A. Harrison

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

To explore the role of weak interactions in aryldicarboxylate binding, the hydrated complex salt, [Co(phen)(2)CO3](2)(C8H4O4)center dot 15H(2)O, 1, (C8H4O42- = terephthalate) was synthesized and characterized by elemental analyses, spectroscopic studies (IR, UV/Visible, H-1, C-13 and Co-59 NMR), physical measurements and single-crystal diffraction. Compound 1 crystallizes in space group Pi and the unit cell contains two complex cations, one terephthalate anion and fifteen water molecules. Two N,N-bidentate 1,10-phenanthroline ligands and one O,O-bidentate carbonate dianion lead to a distorted cis-CoO2N4 octahedral geometry for the metal ion. In the crystal, a supramolecular network built up from C-H center dot center dot center dot O-water/carboxylate (through second sphere interactions) and O-H center dot center dot center dot O-water/carboxylate pi-pi stacking and C-H center dot center dot center dot pi interactions besides electrostatic forces of attraction help to consolidate the packing. Interestingly a chain of water hexamers and tetramers running along the a-axis also have been observed which is trapped in between the complex cations and terephthalate anions framework. (C) 2010 Elsevier B.V. All rights reserved.

Original languageEnglish
Pages (from-to)72-77
Number of pages6
JournalJournal of Molecular Structure
Volume980
Issue number1-3
Early online date16 Jul 2010
DOIs
Publication statusPublished - 10 Sep 2010

Keywords

  • cobalt(III)
  • second sphere coordination chemistry
  • 1,10-phenanthroline
  • terephthalate
  • anion receptor
  • x-ray crystallography
  • dot-center-dot
  • macrocyclic copper(II) complexes
  • 2nd sphere coordination
  • hydrogen-bond patterns
  • anion-binding
  • DNA-binding
  • receptors
  • water
  • recognition
  • acid

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