Complexes of the functionalized crown ether 17-hydroxy-15〈05(1,2)-benzeno.24-coronand-5〉. X-ray crystal and molecular structure of the KSCN complex

Edwin Weber, Mátyás Czugler

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Abstract

The title ligand (1c) has been synthesized and studied in terms of its complexation properties towards alkali and alkaline earth metal ions. Crystalline complexes were obtained with LiI, NaSCN, KSCN, RbI, Mg(ClO4)2, Ca(SCN)2, Ba(SCN)2, and characterized by means of elemental analytical and spectroscopic methods. The complexes with Li-, Na- and Ca salts were found to be of 1:1, those with K-, Rb-, Ba salts of 2:1 (ligand:salt) stoichiometry, while the Mg2+ complex analysed as a 3:2 adduct. IR-spectra indicate the thiocyanate ions metal-coordinated in the corresponding 1:1 complexes but non-coordinated in those of the 2:1 cases. A crystal structure analysis of the 2:1 KSCN complex of 1c [triclinic P1 or P1 with a = 9.615(2), b = 11.572(3), c = 14.893(4) Å, α = 91.63(2), β = 95.06(2), γ = 96.13(2), R = 0.10 for 2311 diffractometer data] revealed that the SCN- anions are indeed separated from the K+ ions and bound in a chain of hydrogen bonds with the pendant -OH functions. The metal ions are sandwiched between a pair of crown rings in a manner which deviates from the arrangement described for an analogous K+ complex of the parent system 1a, in respect to the relative positioning of the ligand subunits.

Original languageEnglish
Pages (from-to)33-38
Number of pages6
JournalInorganica Chimica Acta
Volume61
Issue numberC
DOIs
Publication statusPublished - 1982

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Crown Ethers
Crown ethers
Molecular Structure
Molecular structure
Metal ions
ethers
metal ions
molecular structure
Salts
Crystal structure
Ligands
X-Rays
Ions
salts
X rays
ligands
crystal structure
Metals
Alkaline Earth Metals
Alkaline earth metals

ASJC Scopus subject areas

  • Biochemistry
  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

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title = "Complexes of the functionalized crown ether 17-hydroxy-15〈05(1,2)-benzeno.24-coronand-5〉. X-ray crystal and molecular structure of the KSCN complex",
abstract = "The title ligand (1c) has been synthesized and studied in terms of its complexation properties towards alkali and alkaline earth metal ions. Crystalline complexes were obtained with LiI, NaSCN, KSCN, RbI, Mg(ClO4)2, Ca(SCN)2, Ba(SCN)2, and characterized by means of elemental analytical and spectroscopic methods. The complexes with Li-, Na- and Ca salts were found to be of 1:1, those with K-, Rb-, Ba salts of 2:1 (ligand:salt) stoichiometry, while the Mg2+ complex analysed as a 3:2 adduct. IR-spectra indicate the thiocyanate ions metal-coordinated in the corresponding 1:1 complexes but non-coordinated in those of the 2:1 cases. A crystal structure analysis of the 2:1 KSCN complex of 1c [triclinic P1 or P1 with a = 9.615(2), b = 11.572(3), c = 14.893(4) {\AA}, α = 91.63(2), β = 95.06(2), γ = 96.13(2), R = 0.10 for 2311 diffractometer data] revealed that the SCN- anions are indeed separated from the K+ ions and bound in a chain of hydrogen bonds with the pendant -OH functions. The metal ions are sandwiched between a pair of crown rings in a manner which deviates from the arrangement described for an analogous K+ complex of the parent system 1a, in respect to the relative positioning of the ligand subunits.",
author = "Edwin Weber and M{\'a}ty{\'a}s Czugler",
year = "1982",
doi = "10.1016/S0020-1693(00)89115-X",
language = "English",
volume = "61",
pages = "33--38",
journal = "Inorganica Chimica Acta",
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TY - JOUR

T1 - Complexes of the functionalized crown ether 17-hydroxy-15〈05(1,2)-benzeno.24-coronand-5〉. X-ray crystal and molecular structure of the KSCN complex

AU - Weber, Edwin

AU - Czugler, Mátyás

PY - 1982

Y1 - 1982

N2 - The title ligand (1c) has been synthesized and studied in terms of its complexation properties towards alkali and alkaline earth metal ions. Crystalline complexes were obtained with LiI, NaSCN, KSCN, RbI, Mg(ClO4)2, Ca(SCN)2, Ba(SCN)2, and characterized by means of elemental analytical and spectroscopic methods. The complexes with Li-, Na- and Ca salts were found to be of 1:1, those with K-, Rb-, Ba salts of 2:1 (ligand:salt) stoichiometry, while the Mg2+ complex analysed as a 3:2 adduct. IR-spectra indicate the thiocyanate ions metal-coordinated in the corresponding 1:1 complexes but non-coordinated in those of the 2:1 cases. A crystal structure analysis of the 2:1 KSCN complex of 1c [triclinic P1 or P1 with a = 9.615(2), b = 11.572(3), c = 14.893(4) Å, α = 91.63(2), β = 95.06(2), γ = 96.13(2), R = 0.10 for 2311 diffractometer data] revealed that the SCN- anions are indeed separated from the K+ ions and bound in a chain of hydrogen bonds with the pendant -OH functions. The metal ions are sandwiched between a pair of crown rings in a manner which deviates from the arrangement described for an analogous K+ complex of the parent system 1a, in respect to the relative positioning of the ligand subunits.

AB - The title ligand (1c) has been synthesized and studied in terms of its complexation properties towards alkali and alkaline earth metal ions. Crystalline complexes were obtained with LiI, NaSCN, KSCN, RbI, Mg(ClO4)2, Ca(SCN)2, Ba(SCN)2, and characterized by means of elemental analytical and spectroscopic methods. The complexes with Li-, Na- and Ca salts were found to be of 1:1, those with K-, Rb-, Ba salts of 2:1 (ligand:salt) stoichiometry, while the Mg2+ complex analysed as a 3:2 adduct. IR-spectra indicate the thiocyanate ions metal-coordinated in the corresponding 1:1 complexes but non-coordinated in those of the 2:1 cases. A crystal structure analysis of the 2:1 KSCN complex of 1c [triclinic P1 or P1 with a = 9.615(2), b = 11.572(3), c = 14.893(4) Å, α = 91.63(2), β = 95.06(2), γ = 96.13(2), R = 0.10 for 2311 diffractometer data] revealed that the SCN- anions are indeed separated from the K+ ions and bound in a chain of hydrogen bonds with the pendant -OH functions. The metal ions are sandwiched between a pair of crown rings in a manner which deviates from the arrangement described for an analogous K+ complex of the parent system 1a, in respect to the relative positioning of the ligand subunits.

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JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

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