| Structural,Photoluminescent and Theoretical Evidence for Ligand-unsupported Argentophilic Interactions in a Supramolecular Aggregate of [Ag2（Hida）（NH3）2] |
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| 引用本文： | ZHENG Shao-Liang YANG Jin-Hua CHEN Xiao-Ming. Structural,Photoluminescent and Theoretical Evidence for Ligand-unsupported Argentophilic Interactions in a Supramolecular Aggregate of [Ag2（Hida）（NH3）2][J]. 结构化学, 2009, 28(11): 1503-1508 |
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| 作者姓名： | ZHENG Shao-Liang YANG Jin-Hua CHEN Xiao-Ming |
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| 作者单位： | |
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| 基金项目： | 国家自然科学基金，the '973 Project' |
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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.
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| 关 键 词： | 相互作用 光致发光 超分子 证据理论 结构 配体 聚合 分子轨道计算 |
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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| Abstract: | A new neutral [Ag_2(Hida)(NH_3) _2] molecule (1, H_3ida = 1H-imidazole-4,5-dicarboxy-lic acid) has been synthesized and structurally characterized by single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group C2/c with α= 18.3928(8), b = 8.3299(5), c = 13.682(7) A, β = 113.179(2)°, V = 1926.9(10) A3, 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. |
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| Keywords: | silver crystal structure argentophilicity luminescence ab initio calculations,density functional calculations |
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