| 氨基甲烷到氨基戊烷加、减电子对HOMO、LUMO的影响 |
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| 引用本文： | 姚树文,张艺川.氨基甲烷到氨基戊烷加、减电子对HOMO、LUMO的影响[J].河南职业技术师范学院学报,2013(6):37-42. |
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| 作者姓名： | 姚树文 张艺川 |
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| 作者单位： | [1]河南科技学院,河南新乡453003 [2]河南师范大学化学化T学院,河南新乡453000 |
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| 摘 要： | 采用HF方法,在最小基组条件下,研究了氨基甲烷到氨基戊烷加电子或减电子对其最高占据轨道和最低未占据轨道的影响.结果表明：该系列物质加电子是加载在最低非占据轨道上,减电子是减在最高占据轨道上.
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| 关 键 词： | 最高占据轨道 最低非占据轨道 加电子 减电子 |
Effect of adding and subtracting electron from the HOMO and LUMO of different Amino alkanes |
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| Yao Shuwen,Zhang Yichuan.Effect of adding and subtracting electron from the HOMO and LUMO of different Amino alkanes[J].Journal of Henan Vocation-Technical Teachers College,2013(6):37-42. |
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| Authors: | Yao Shuwen Zhang Yichuan |
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| Institution: | 1.Henan Institute of Science and Technology,Xinxiang 453003,China;2.School of Chemistry of Chemical Engineering,Henan Normal University,Xinxiang 453000,China) |
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| Abstract: | The effect of adding one electron or subtracting one electron from the frontier molecular orbitals of five amino alkanes was investigated by using Hartree-Fock method at the basis of STO-3G.The results showed that adding one electron takes place on the lowest unoccupied molecular orbital,while subtracting one electron takes place on the highest occupied molecular orbital. |
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| Keywords: | HOMO LUMO adding one electron subtracting one electron |
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