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首页> 外文期刊>Journal of chemical crystallography >Underlining the Non-Covalent Interactions and Spectral Properties of a New Trimeric Perfluoro-Ortho-Phenylenemercury Supramolecular Complex: Synthesis, Structure and Spectroscopy of [(o-C_6F_4Hg)_3?μ_3-TCNB]
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Underlining the Non-Covalent Interactions and Spectral Properties of a New Trimeric Perfluoro-Ortho-Phenylenemercury Supramolecular Complex: Synthesis, Structure and Spectroscopy of [(o-C_6F_4Hg)_3?μ_3-TCNB]

机译：强调了新型三聚全氟-邻苯撑汞超分子配合物的非共价相互作用和光谱性质：[（o-C_6F_4Hg）_3？μ_3-TCNB]的合成，结构和光谱

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With its close proximity of Hg(II) atoms, elevated electron-withdrawing properties and accessibility to electrophilic sites on its molecular surface, cyclic trimeric perfluoro-ortho-phenylenemercury (o-(C_6F_4Hg)_3) has been identified as one of the simplest Lewis acids. Given the marrying of these effects within the molecule, it has consistently demonstrated facility in forming supramolecular complexes with both neutral and anionic substrates. In an effort to expand the library of neutral substrates complexed by (o-C_6F_4Hg)_3, in this communication we highlight the structural and spectroscopic properties of the complex between (o-C_6F_4Hg)_3 and the organic acceptor TCNB (TCNB = 1,2,4,5-tetracyanobenzene). The supramolecular complex crystallized in the centrosymmetric triclinic space group P1 and exhibited unit cell dimensions of a = 10.9026(8) ?, b = 11.1731(8) ?, c = 14.0657(10) ?, α = 89.839(6)°, β = 77.893(7)° and γ = 69.328(8)° for the title complex. Close inspection of the solid state structure revealed one-dimensional chains of non-covalent Hg…N interactions between the mercury atoms of (o-C_6F_4Hg)_3 and the nitrogen atoms from nitrile groups lying trans to one another within the organic acceptor. A network of hydrogen bonding interactions between (o-C_6F_4Hg)_3 and TCNB as well as among dimers of TCNB was also observed. Infrared spectroscopic measurements were also completed and revealed a shifting of the nitrile vibrational frequency for TCNB relative to that for the free molecule.
机译：环状三聚全氟邻苯撑汞（o-（C_6F_4Hg）_3）与Hg（II）原子非常接近，具有更高的吸电子性能和分子表面亲电子位点的可及性，被认为是最简单的路易斯之一酸。考虑到这些效应在分子中的结合，它一直证明可以与中性和阴离子底物形成超分子复合物。为了扩展由（o-C_6F_4Hg）_3络合的中性底物库，在本交流中，我们重点介绍了（o-C_6F_4Hg）_3与有机受体TCNB之间的络合物的结构和光谱性质（TCNB = 1,2 ，4,5-四氰基苯）。在中心对称三斜空间群P1中结晶的超分子复合物，其晶胞尺寸为a = 10.9026（8）β，b = 11.1731（8）β，c = 14.0657（10）α，α= 89.839（6）°，β ＝ 77.893（7）°，γ＝ 69.328（8）°。仔细检查固态结构，发现（o-C_6F_4Hg）_3的汞原子与有机受体内彼此相反的腈基氮原子之间的非共价Hg…N相互作用的一维链。还观察到（o-C_6F_4Hg）_3与TCNB之间以及TCNB的二聚体之间的氢键相互作用网络。还完成了红外光谱测量，并揭示了TCNB的腈振动频率相对于游离分子的腈振动频率的变化。

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