Complex formation of Fe(II) and Fe(III) ions with octafunctionalized C-methyl-calix[4]resorcinarene possessing -OCH2COOH (K) moieties

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Abstract

The two common ionic forms of iron have quite different character with respect to polarizability. The Fe(III) is considered a harder Pearson acid than Fe(II). The octasubstituted C-methyl-calix[4]resorcinarene (1) with its carboxylate arms and aromatic rings can form both "hard" and "soft" ion binding sites, respectively. In this work the interactions of Fe(III) and Fe(II) ions with 1 were investigated by photoluminescence (PL) and quantum-chemical methods. The results suggest that Fe(II) ions form complexes with 1 favorably through cation-π interactions, while the complexation of Fe(III) ions is mainly based on the chelate formation with the carboxylate moieties of the resorcinarene molecule. This observation makes 1 and its analogues promising candidates to be used in chemical sensors as special redox-sensitive host molecules.

Original languageEnglish
Pages (from-to)4727-4731
Number of pages5
JournalJournal of Physical Chemistry B
Volume107
Issue number20
Publication statusPublished - May 22 2003

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Ions
carboxylates
ions
Molecules
Binding sites
Chemical sensors
Complexation
chelates
Cations
molecules
Photoluminescence
Iron
Positive ions
Binding Sites
interactions
analogs
photoluminescence
iron
cations
acids

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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title = "Complex formation of Fe(II) and Fe(III) ions with octafunctionalized C-methyl-calix[4]resorcinarene possessing -OCH2COOH (K) moieties",
abstract = "The two common ionic forms of iron have quite different character with respect to polarizability. The Fe(III) is considered a harder Pearson acid than Fe(II). The octasubstituted C-methyl-calix[4]resorcinarene (1) with its carboxylate arms and aromatic rings can form both {"}hard{"} and {"}soft{"} ion binding sites, respectively. In this work the interactions of Fe(III) and Fe(II) ions with 1 were investigated by photoluminescence (PL) and quantum-chemical methods. The results suggest that Fe(II) ions form complexes with 1 favorably through cation-π interactions, while the complexation of Fe(III) ions is mainly based on the chelate formation with the carboxylate moieties of the resorcinarene molecule. This observation makes 1 and its analogues promising candidates to be used in chemical sensors as special redox-sensitive host molecules.",
author = "S. Kuns{\'a}gi-M{\'a}t{\'e} and L. Nagy and G. Nagy and I. Bitter and L. Koll{\'a}r",
year = "2003",
month = "5",
day = "22",
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volume = "107",
pages = "4727--4731",
journal = "Journal of Physical Chemistry B Materials",
issn = "1520-6106",
publisher = "American Chemical Society",
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TY - JOUR

T1 - Complex formation of Fe(II) and Fe(III) ions with octafunctionalized C-methyl-calix[4]resorcinarene possessing -OCH2COOH (K) moieties

AU - Kunsági-Máté, S.

AU - Nagy, L.

AU - Nagy, G.

AU - Bitter, I.

AU - Kollár, L.

PY - 2003/5/22

Y1 - 2003/5/22

N2 - The two common ionic forms of iron have quite different character with respect to polarizability. The Fe(III) is considered a harder Pearson acid than Fe(II). The octasubstituted C-methyl-calix[4]resorcinarene (1) with its carboxylate arms and aromatic rings can form both "hard" and "soft" ion binding sites, respectively. In this work the interactions of Fe(III) and Fe(II) ions with 1 were investigated by photoluminescence (PL) and quantum-chemical methods. The results suggest that Fe(II) ions form complexes with 1 favorably through cation-π interactions, while the complexation of Fe(III) ions is mainly based on the chelate formation with the carboxylate moieties of the resorcinarene molecule. This observation makes 1 and its analogues promising candidates to be used in chemical sensors as special redox-sensitive host molecules.

AB - The two common ionic forms of iron have quite different character with respect to polarizability. The Fe(III) is considered a harder Pearson acid than Fe(II). The octasubstituted C-methyl-calix[4]resorcinarene (1) with its carboxylate arms and aromatic rings can form both "hard" and "soft" ion binding sites, respectively. In this work the interactions of Fe(III) and Fe(II) ions with 1 were investigated by photoluminescence (PL) and quantum-chemical methods. The results suggest that Fe(II) ions form complexes with 1 favorably through cation-π interactions, while the complexation of Fe(III) ions is mainly based on the chelate formation with the carboxylate moieties of the resorcinarene molecule. This observation makes 1 and its analogues promising candidates to be used in chemical sensors as special redox-sensitive host molecules.

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