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众所周知,SO2是一个角型(或V型)分子,键角119.5°,两个S-O键的键长均为143pm。多年来,对于SO2分子的成键特征及其分子构型许多作者进行了详细的讨论。概括起来,目前有两种具有代表性的观点。 相似文献
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[Zn(py)2SHSH]的合成、晶体结构及理论研究 总被引:3,自引:0,他引:3
The crystal of zinc complex with salicylaldehyde salicylhydrazone(SHSH) was obtained in DMF and pyridine. It has been characterized by IR, UV, element analysis and X-ray diffraction analysis. The crystallographic data were as follows: monoclinic system, space group Pn, a=1.094 6 nm, b=0.884 0 nm, c=1.161 0 nm, β=101.350°, Z=2, V=1.101 0 nm3, Dc=1.441 g·cm-3, μ=1.148 mm-1, F(000)=492 and the final R=0.029 5 and wR=0.068 5 for 2 642 observed reflections with I≥2σ(I). The X-ray crystal structure analysis revealed that the center zinc(Ⅱ) is bonded to two oxygen atoms and one nitrogen atoms from a tridentate ligand(SHSH) and two nitrogen atoms from two solvent pyridine molecules to form a five-coordinate distorted trigonal bipyramid. The full-optimized molecular geometries of title complex was calculated at B3LYP/6-31G and HF/6-31G levels with Guassian 98W program. CCDC: 252832. 相似文献
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在化学教学中,特别是在讨论元素单质性质时,常常使用术语"同素异形体".然而不同的教科书对"同素异形体"下了不同的定义,即使同一作者对"同素异形体"也作了不同的解释.这样就使得"同素异形体"的概念变得模糊起来,更为重要的 相似文献
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新型骨干化学师资培养模式初探 总被引:2,自引:1,他引:1
本文针对我国传统师资培养模式的局限性 ,提出了纵深型“4 + 2”“理学学士—教育硕士”6年贯通制新型骨干化学教师培养模式 ,并阐明了其培养目标以及培养方案。 相似文献
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缩氨基硫脲类衍生物及其金属配合物是20世纪70年代初期人们认为具有潜在生物活性的化合物,具有抗菌、抗病毒及抗癌等生物活性犤1~4犦。我们曾对2,4-二羟基苯甲醛缩硫脲及其与Cu?、Zn?、Ni?的配合物的合成和生物活性进行过研究犤5犦。但由合成方法和物理表征仅能知道其一维连接顺序,而它们的构象及生理活性的理论研究尚未见报道。现代药物分子设计理论认为,药物分子(底物)的活性取决于与生物大分子(受体)活性中心作用时相匹配的活性构象。因此,探讨药物分子的构效关系(QSAR)对药物分子的生理活性研究至关重要。本文利用Gaussian98W在HF… 相似文献
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The title complex [Zn(C14H8N2O3Br2)(C5H5N)3] was synthesized in DMF and pyridine. It has been characterized by IR, element analysis and X-ray diffraction analysis. The crystal structure of the title complex belongs to monoclinic space group P21/c with cell parameters: a=0.999 78(6) nm, b=1.951 11(13) nm, c=1.496 02(10) nm, β=97.126 0(10)°, and V=2.895 7(3) nm3, Dc=1.639 g·cm-3, Z=4, F(000)=1 424, μ=3.647 mm-1, the final R=0.061 0 and wR=0.140 2 for 3 528 observed reflections with I>2σ(I). The X-ray crystal structure analysis revealed that the center zinc(Ⅱ) is bonded to two oxygen atoms and one nitrogen atom from a tridentate ligand and three nitrogen atoms from three solvent pyridine molecules to form a six-coordinate octahedron. CCDC: 261047. 相似文献
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