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五羰基合铁分子化学键特性的研究 被引量:3

STUDY ON THE PROPERTIES OF CHEMICAL BONDS OF\= IRON PENTACARBONYL
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摘要 自五羰基铁化合物制备以来,不少人对其成键特性作过研究[1,2]。我们注意到,五羰基铁分子中,平面的Fe-C键与轴向的Fe-C键相比,其键长要长0.0027nm,但该键的键力常数k比轴向Fe-C键的大0.18N/cm,键振动频率ν~大22cm-1,即平... ; We have found from experimental data that, in the iron pentacarbonyl molecule, the length of FeC bond in axial is shorter than that in planar, but the bond is weaker; the bond distances of CO of both planar and axial are equal, while the bond strengths are different. This is against the traditional view of the shorter the bond is, the stronger the bond will be. We have got through calculation and research, that the main cause of such difference is that the effects of the backdonor of Fe atoms electrons to CO bonds in axial and planar are different. The shorter the FeC bond is, the more effective the backdonor (or transfer) of electrons is. So that the population between Fe and C in axial are less than those in planar, so the bond is weaker, and the CO bonds have gained more backdonor electrons than those in planar, thus the bond is stronger.\=\;
出处 《无机化学学报》 SCIE CAS CSCD 北大核心 1999年第3期405-408,共4页 Chinese Journal of Inorganic Chemistry
关键词 五羰基铁 化学键 键能 键强度 五羰基合铁 iron pentacarbonyl\ \ \ property of chemical bond\ \ \ bond energy E\-\{AB\}\= strength of bond
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参考文献6

  • 1胡宗球.键能的分子轨道理论研究 Ⅰ.理论公式[J].化学学报,1998,56(4):353-358. 被引量:18
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  • 6王志中,半经验分子轨道的理论和实践,1981年,132,68页

二级参考文献2

  • 1Wang Zhihong,The Theory and Practice of Semi-empirical Molecular Otbital (in Chinese),1981年,132,68页
  • 2Jin Songshou,The Fundamental and Application of Quantum Chemistry (in Chinese),1980年,295页

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