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[Zn(py)_2SHSH]的合成、晶体结构及理论研究 被引量:5
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作者 胡宗球 丁瑜 +2 位作者 祝心德 陈彦国 王成刚 《无机化学学报》 SCIE CAS CSCD 北大核心 2005年第1期78-82,共5页
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 dat... 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 foll ows: monoclinic system, space group Pn, a=1.094 6 nm, b=0.884 0 nm, c=1.161 0 nm , 穋m-3, ≥2 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-coord inate distorted trigonal bipyramid. The full-optimized molecular geometries of t itle complex was calculated at B3LYP/6-31G and HF/6-31G levels with Guassian 98W program. CCDC: 252832. 展开更多
关键词 水杨醛缩水杨酰肼席夫碱 [zn(py)2shsh] 晶体结构 B3LYP
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