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 journalArticle

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

Cite this

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title = "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",
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.",
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",
author = "Sharma, {Raj Pal} and Ajnesh Singh and Paloth Venugopalan and Harrison, {William T. A.}",
year = "2010",
month = "9",
day = "10",
doi = "10.1016/j.molstruc.2010.06.039",
language = "English",
volume = "980",
pages = "72--77",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier Science B. V.",
number = "1-3",

}

TY - JOUR

T1 - Role of weak interactions in binding of aryldicarboxylate ion

T2 - Synthesis, spectroscopic characterization, single-crystal X-ray structure determination and packing analysis of [Co(phen)(2)CO3](2)(C8H4O4)center dot 15H(2)O

AU - Sharma, Raj Pal

AU - Singh, Ajnesh

AU - Venugopalan, Paloth

AU - Harrison, William T. A.

PY - 2010/9/10

Y1 - 2010/9/10

N2 - 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.

AB - 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.

KW - cobalt(III)

KW - second sphere coordination chemistry

KW - 1,10-phenanthroline

KW - terephthalate

KW - anion receptor

KW - x-ray crystallography

KW - dot-center-dot

KW - macrocyclic copper(II) complexes

KW - 2nd sphere coordination

KW - hydrogen-bond patterns

KW - anion-binding

KW - DNA-binding

KW - receptors

KW - water

KW - recognition

KW - acid

U2 - 10.1016/j.molstruc.2010.06.039

DO - 10.1016/j.molstruc.2010.06.039

M3 - Article

VL - 980

SP - 72

EP - 77

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

IS - 1-3

ER -