| 酰基吡唑啉酮双席夫碱配合物的电子结构、成键性与生物活性 |
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| 引用本文： | 张桂玲,戴柏青,李锦州.酰基吡唑啉酮双席夫碱配合物的电子结构、成键性与生物活性[J].无机化学学报,2003,19(12):1331-1334. |
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| 作者姓名： | 张桂玲 戴柏青 李锦州 |
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| 作者单位： | 哈尔滨师范大学化学系,哈尔滨,150080 |
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| 基金项目： | 教育部骨干教师基金资助项目(No.02053)。 |
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| 摘 要： | The electronic structures of N,N′-bis(1-phenyl-3-methyl-5-oxo-4-pyrazolinyl) α-furylmethylidyne]ethylendii- mine (and -o-phenylendiimine), and their complexes of transition metals M (M=Ni, Cu, Co, Pd, Pt) have been calculated by B3LYP method of DFT. Their geometries and bonding characters are discussed, and the relationship between their bioactivities and electronic structures are also discussed from the calculated results of electronic populations and frontier orbital energies.
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| 关 键 词： | 酰基吡唑啉酮 双席夫碱 配合物 电子结构 生物活性 |
| 修稿时间： | 2003年5月28日 |
Electronic Structures, Bonding Characters and Bioactivities of Acylpyrazolone Bis-Schiff Base Complexes |
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| ZHANG Gui-Ling,DAI Bai-Qing and LI Jin-Zhou.Electronic Structures, Bonding Characters and Bioactivities of Acylpyrazolone Bis-Schiff Base Complexes[J].Chinese Journal of Inorganic Chemistry,2003,19(12):1331-1334. |
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| Authors: | ZHANG Gui-Ling DAI Bai-Qing and LI Jin-Zhou |
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| Institution: | Department of Chemistry, Harbin Normal University, Harbin 150080,Department of Chemistry, Harbin Normal University, Harbin 150080 and Department of Chemistry, Harbin Normal University, Harbin 150080 |
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| Abstract: | |
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| Keywords: | acylpyrazolone bis-Schiff base complex electronic structure bioactivity |
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