| 用休克尔分子轨道法研究TPP及其衍生物的电子光谱 |
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| 引用本文： | 王丽君.用休克尔分子轨道法研究TPP及其衍生物的电子光谱[J].石家庄职业技术学院学报,2000(4). |
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| 作者姓名： | 王丽君 |
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| 作者单位： | 石家庄职业技术学院化工系!河北石家庄050081 |
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| 摘 要： | 用休克尔分子轨道法研究了TPP (Meso四苯基卟啉 )及其四个取代苯基上o- ,m- ,p- 不定位氯代与p- 定位不同取代基 (—OH ,—CN ,—Cl,—Br)化合物的电子结构 ;用群论与休克尔分子轨道法确定了TPP及其衍生物MO能级对称性 ,解释了其电子光谱的产生 ,初步探讨了定位与不定位取代化合物谱带变化实质
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| 关 键 词： | 卟啉 电子光谱 休克尔分子轨道法 群论 |
A HMO Study on Electronic Spectra of TPP and Its Substituted Derivatives |
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| WANG Li,jun.A HMO Study on Electronic Spectra of TPP and Its Substituted Derivatives[J].Journal of Shijiazhuang Vocational Technology Institute,2000(4). |
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| Authors: | WANG Li jun |
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| Abstract: | The electronic construction of TPP and its derivatives which are substituted by same group (Cl) at unfixed position andin different groups (OH,Cl,Br,CN)at fixed position in the phenyl groups were studied,the symmetry of MO was determined and the production of the electronic spectra was explained by means of HMO and group theory.This leads us to conclude tentatively that the spectral properties of these porphyrins and the calculated spectroscopic data conincide with experimental values. |
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| Keywords: | prophyrins electronic HMO group theory |
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