| 卤代烷第一电离能的变化规律研究 |
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| 引用本文： | 曹晨忠,曾荣今,刘胜利.卤代烷第一电离能的变化规律研究[J].化学物理学报,2000,13(3):288-292. |
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| 作者姓名： | 曹晨忠 曾荣今 刘胜利 |
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| 作者单位： | 湘潭师范学院化学系 |
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| 基金项目： | 湖南省"有机化学"重点学科基金项目 |
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| 摘 要： | 卤代烷ＲＸ的第一电离能Ｉｐ的变化规律可用如下方程表示：Ｉｐ（ｅＶ）＝３．３３８０＋０．７３４４Ｅｐ（Ｘ）＋２．７４２４「（１／αｘ）ｑｘ」－１．４０２ＰＥＩ其中,Ｅｐ（Ｘ）、αｘ分别为卤素原子最外层Ｐ电子的电离能和原子极化离,ｑｘ是卤代烷ＲＸ分子中卤原子Ｘ所带的部分电荷,ＰＥＩ是ＲＸ分子中烷基Ｒ的极化效应指数。华肜上式估算卤代烷的第一电离能与实验值符合的比较好。
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| 关 键 词： | 卤代烷 变化规律 极化效应指数 第一电离能 |
| 收稿时间： | 7/1/1999 12:00:00 AM |
Study on the Change Rule of the First Ionization Potential for Halohydrocarbo |
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| Cao Chenzhong,Zeng Rongjin and Liu Shengli.Study on the Change Rule of the First Ionization Potential for Halohydrocarbo[J].Chinese Journal of Chemical Physics,2000,13(3):288-292. |
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| Authors: | Cao Chenzhong Zeng Rongjin and Liu Shengli |
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| Institution: | Department of Chemistry,Xiangtan Normal University,Xiangtan 411201,Department of Chemistry,Xiangtan Normal University,Xiangtan 411201,Department of Chemistry,Xiangtan Normal University,Xiangtan 411201 |
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| Abstract: | It can be expressed as following equation for the change rule of the firstionization potential(Ip) of halohydrocarbonRX :Ip(eV)=3.3380+0.7344Ep(X)+2.7424(1/ax)qx-1.4302PEI where Ep(X) and ax are the ionization potential of outermost P electron and atomic polarizability for halogen atom respectively,qx is the partial charge on halogen atom X in halohydrocarbon molecule RX,and PEI is the polarizability effect index of alkyl group in the molecule RX.The result shown there were good agreement between the ionization potential values estimatedn by above expression and the experimental values for the investigated halohydrocarbon. |
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| Keywords: | Halohydrocarbon Ionizationpotential Changerule Polarizabilityeffec |
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