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Structural, Photoluminescent and Theoretical Evidence for Ligand-unsupported Argentophilic Interactions in a Supramolecular Aggregate of [Ag_2(Hida)(NH_3)_2] 被引量:2

Structural, Photoluminescent and Theoretical Evidence for Ligand-unsupported Argentophilic Interactions in a Supramolecular Aggregate of [Ag_2(Hida)(NH_3)_2]
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摘要 A new neutral [Ag2(Hida)(NH3)2] molecule (1, H3ida = 1H-imidazole-4,5-dicarboxylic acid) has been synthesized and structurally characterized by single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group C2/c with a = 18.3928(8), b = 8.3299(5), c = 13.682(7) A, β = 113.179(2)°, V = 1926.9(10)A^3, Z = 8 and Dc = 2.784 g·cm^-3. In the solid state, this disilver(I) compound can aggregate to furnish the energetically stable ligand-unsupported Ag^I-Ag^I interaction concomitant with significant photoluminescence changes in different aggregate states, and such argentophilicity interaction is also supported by molecular orbital calculations. A new neutral [Ag2(Hida)(NH3)2] molecule (1, H3ida = 1H-imidazole-4,5-dicarboxylic acid) has been synthesized and structurally characterized by single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group C2/c with a = 18.3928(8), b = 8.3299(5), c = 13.682(7) A, β = 113.179(2)°, V = 1926.9(10)A^3, Z = 8 and Dc = 2.784 g·cm^-3. In the solid state, this disilver(I) compound can aggregate to furnish the energetically stable ligand-unsupported Ag^I-Ag^I interaction concomitant with significant photoluminescence changes in different aggregate states, and such argentophilicity interaction is also supported by molecular orbital calculations.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第11期1503-1508,共6页 结构化学(英文)
基金 Supported by NNSFC (No. 20821001) the '973 Project' (2007CB815302)
关键词 SILVER crystal structure argentophilicity LUMINESCENCE ab initio calculations density functional calculations silver, crystal structure, argentophilicity, luminescence, ab initio calculations,density functional calculations
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