| 从量子化学计算结果讨论电子结构与氯的含氧酸系列性质递变规律的关系 |
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| 引用本文： | 张笑一.从量子化学计算结果讨论电子结构与氯的含氧酸系列性质递变规律的关系[J].贵州师范大学学报(自然科学版),1987(1). |
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| 作者姓名： | 张笑一 |
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| 作者单位： | 贵州师大化学系 |
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| 摘 要： | 本文根据对氯的含氧酸 HOCl、HClO_2、HClO_3、HClO_4的 CNDO/2计算结果,提出了从电子结构解释氯的含氧酸氧化性递变规律的机理.同时,根据对计算结果的分析,提出用分子轨道理论的离域键观点对酸性递变规律的解释.
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Quantum Chemical Study of the Acid Strengtn and Oxidizing Power of Chlorine' s Oxyacids |
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| Abstract: | In this paper an extended CNDO method has been used to study the electronic structure of chlorine's oxyacids.Based on the analysis of the computation results we have proposed a mechanism of the increasing rule of the oxidizing power of chlorine's oxyacids such as HOCl,HClO_2, HClO_3,HClO_4,We also interpreted the increasing rule of these compo- unds of the acid strength in the light of the delocalizing bond model of MO theory. |
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