| 铁催化剂上化学吸附N2的络合活化与加氢成氨 |
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| 引用本文： | 廖代伟.铁催化剂上化学吸附N2的络合活化与加氢成氨[J].高等学校化学学报,1985,6(5):456. |
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| 作者姓名： | 廖代伟 |
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| 作者单位： | 厦门大学化学系物理化学研究所 |
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| 摘 要： | 关于Fe上N2的络合活化,业已提出若干原子簇模型。基于所得到的现场动态互补红外与拉曼光谱的实验结果,进行了EHMO计算,以便从理论上比较化学吸附N2的各种络合活化模式,并探测其加氢成氨的可能方式。取α-Fe(111)面Fe7原子簇及其络合活化的N2为计算模型体系。模型-A为双端基加多侧基桥式对称平躺式,模型-B1和B2分别为单端基或准双端基加多侧基斜交式,模型-C为单端基加多侧基直插式。
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| 收稿时间： | 1983-08-02 |
Coordination Activation and Hydrogenation of Chemisorbed N2 on Iron Catalysts for Ammonia Synthesis |
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| Liao Daiwei.Coordination Activation and Hydrogenation of Chemisorbed N2 on Iron Catalysts for Ammonia Synthesis[J].Chemical Research In Chinese Universities,1985,6(5):456. |
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| Authors: | Liao Daiwei |
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| Institution: | Department of Chemistry and Institute of Physical Chemistry, Xiamen University, Xiamen |
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| Abstract: | The results of EHMOcalculation indicated that the μ7(η2, ω2, ω2') symmetrical double-end-on plus multiple-side-on flat-lying mode appeared to be more favorable to the coordination activation and hydrogenation of chemisorbed N2 on iron catalysts for ammonia synthesis than other modes, and supported the associative reaction mechanism suggested by professor,K.R. Tsai. |
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