2010•Wuji huaxue xuebaoRequires access

Synthesis, Crystal Structure and Photoluminescence of a New 1D Cd(II) Coordination Polymer

Liu Guo

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Abstract

A new 1D chain coordination polymer [Cd(dpq)(ox)0.5Cl]n (1) (dpq=dipyrido[3,2-d:2′,3′-f]quinoxaline and ox=oxalate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and single crystal X-ray diffraction analysis. Compound 1 (CdClC15H8N4O2): monoclinic, space group P21/c, a=0.854 04(5) nm, b=2.094 90(13) nm, c=0.839 22(5) nm, Z=4, V=1.438(15) nm3, Mr=424.11, Dc=1.959 g·cm-3, F(000)=828.0, μ= 1.719 mm-1, S=1.028, the final R=0.025 8 and wR=0.057 5. The crystal structure analysis indicates that the cadmium ion is coordinated by two oxygen atoms from a oxalate, two chelating nitrogen atoms from a dpq molecule and two Cl-anions. The adjacent Cd(Ⅱ) ions are linked by Cl-anions and oxalate ligands in alternate sequence to form a 1D chain coordination polymer and the adjacent chains are further connected by π-π stacking interactions to form a 2D supramolecular network. Moreover, the title compound exhibits blue emission in the solid state at room temperature.

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A new 1D chain coordination polymer [Cd(dpq)(ox)0.5Cl]n (1) (dpq=dipyrido[3,2-d:2′,3′-f]quinoxaline and ox=oxalate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and single crystal X-ray diffraction analysis. Compound 1 (CdClC15H8N4O2): monoclinic, space group P21/c, a=0.854 04(5) nm, b=2.094 90(13) nm, c=0.839 22(5) nm, Z=4, V=1.438(15) nm3, Mr=424.11, Dc=1.959 g·cm-3, F(000)=828.0, μ= 1.719 mm-1, S=1.028, the final R=0.025 8 and wR=0.057 5. The crystal structure analysis indicates that the cadmium ion is coordinated by two oxygen atoms from a oxalate, two chelating nitrogen atoms from a dpq molecule and two Cl-anions. The adjacent Cd(Ⅱ) ions are linked by Cl-anions and oxalate ligands in alternate sequence to form a 1D chain coordination polymer and the adjacent chains are further connected by π-π stacking interactions to form a 2D supramolecular network. Moreover, the title compound exhibits blue emission in the solid state at room temperature.

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Available abstract

A new 1D chain coordination polymer [Cd(dpq)(ox)0.5Cl]n (1) (dpq=dipyrido[3,2-d:2′,3′-f]quinoxaline and ox=oxalate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and single crystal X-ray diffraction analysis. Compound 1 (CdClC15H8N4O2): monoclinic, space group P21/c, a=0.854 04(5) nm, b=2.094 90(13) nm, c=0.839 22(5) nm, Z=4, V=1.438(15) nm3, Mr=424.11, Dc=1.959 g·cm-3, F(000)=828.0, μ= 1.719 mm-1, S=1.028, the final R=0.025 8 and wR=0.057 5. The crystal structure analysis indicates that the cadmium ion is coordinated by two oxygen atoms from a oxalate, two chelating nitrogen atoms from a dpq molecule and two Cl-anions. The adjacent Cd(Ⅱ) ions are linked by Cl-anions and oxalate ligands in alternate sequence to form a 1D chain coordination polymer and the adjacent chains are further connected by π-π stacking interactions to form a 2D supramolecular network. Moreover, the title compound exhibits blue emission in the solid state at room temperature.

Key concepts: Monoclinic crystal system, Oxalate, Crystallography, Stacking, Supramolecular chemistry, Crystal structure, Coordination polymer, Chemistry

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