| 四苯基卟啉衍生物质子化热力学 |
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| 引用本文： | 胡珍珠,朱志昂,王传志.四苯基卟啉衍生物质子化热力学[J].无机化学学报,2001,17(2):197-201. |
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| 作者姓名： | 胡珍珠 朱志昂 王传志 |
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| 作者单位： | 1. 湖北师范学院化学系,
2. 南开大学化学系, |
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| 基金项目： | 湖北省教委基金(No.97A046)，国家自然科学基金资助课题(No.29871018)。 |
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| 摘 要： | 用光度法六种四苯基卟啉衍生物的表 观质子化常数及质子化热力学函数，并用半经验量子化学计算方法PM3计算了卟啉环中两个氮原子（ ＝N－）的净电荷，探讨了取代基的电子效应及空间效应对质子化常数的影响。
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| 关 键 词： | 四苯基卟啉衍生物 质子化常数 电子吸收光谱 PM3 质子化热力力学 光度法 |
| 收稿时间： | 2000/8/12 0:00:00 |
| 修稿时间： | 2000年8月12日 |
Study on Overall Protonation Constants of Tetraphenylporphyrin Derivatives |
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| HU Zhen-Zhu,ZHU Zhi-Ang and WANG Chuan-Zhong.Study on Overall Protonation Constants of Tetraphenylporphyrin Derivatives[J].Chinese Journal of Inorganic Chemistry,2001,17(2):197-201. |
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| Authors: | HU Zhen-Zhu ZHU Zhi-Ang and WANG Chuan-Zhong |
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| Institution: | Department of Chemistry Hubei Normal University, Huangshi 435000,Department of Chemistry Nankai Unirersisy, Tianjin 300071 and Department of Chemistry Nankai Unirersisy, Tianjin 300071 |
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| Abstract: | The overall protonation constants of six tetraphenylporphyrin derivatives were determined by spectrophotometric methods. The changes of standard molar enthalpy Hm and the changes of standard molar entropy Sm of the reactions were obtained from the plots of InKs vs 1/ T. The Porphyrin molecules were calculated by using semiempirical PM3 method. The influence of electron effect and steric hindrance of substituting group on overall protonation constants was discussed. Experimental data and theoretical discussion showed that the degree of porphyrin protonation depend on electron and steric effect. The values of the protonation constants are increased as increasing donor conjugate effect, while steric hindrance of substituting group reduces the constants. |
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| Keywords: | porphyrin apparent protonation constants UV-VIS spectra PM3 thermodynamics |
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