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| 噻吩多烯基丙二酸二甲酯类化合物的气相研究 | |
| 引用本文： | 王殿勋,郑世钧,孟令鹏,蔡新华,戴萃辰,徐广智,J. B. Peel. 噻吩多烯基丙二酸二甲酯类化合物的气相研究[J]. 物理化学学报, 1994, 10(2): 179-182. DOI: 10.3866/PKU.WHXB19940219 |
| 作者姓名： | 王殿勋 郑世钧 孟令鹏 蔡新华 戴萃辰 徐广智 J. B. Peel |
| 作者单位： | Institute of Chemistry, Academia Sincia, Beijing 100080, Department of Chemistry, La Trobe University, Bundoora Vic, Australia 3083 |
| 摘 要： | 气相Hel紫外光电子能谱（UPS）能从孤立分子的分子轨道特性给出研究分子的电子结构、构型、构象以及成键特性等的大量信息．为此，我们开展了分子体系中带有数基为阻断基团的三岔共把系列化合物的＊PS研究【’－‘］其各自分子轨道的特性提供了它们遵守同东线性规律的实验和理论依据．本文报导唾吩多烯基雨二酸二甲酯类化合物（1）、（2）、（3）的UPS研究·结果表明，它们遵从同系线性规律；同时从分子轨道的原子特性论证了文献间推证的一C00CH3基团的结构效应．这些尚未见文献报导．1实验和计算文献则报导了这类化合物的合成·研究化… |
| 关 键 词： | HeI紫外光电子能谱(UPS) 噻吩多烯基丙二酸二甲酯 MNDO分子轨道计算 |
| 收稿时间： | 1992-07-23 |
| 修稿时间： | 1993-02-15 |
Hel Ultraviolet Photoelectron Spectroscopic Studies of Thienyl Polyethylenic Dimethyl Malonates Comopunds |
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| Wang Dianxun, Zheng Shijun,Meng Lingpeng, Cai Xinhua, Dai Cuichen, Xu Guangzhi. Hel Ultraviolet Photoelectron Spectroscopic Studies of Thienyl Polyethylenic Dimethyl Malonates Comopunds[J]. Acta Physico-Chimica Sinica, 1994, 10(2): 179-182. DOI: 10.3866/PKU.WHXB19940219 | |
| Authors: | Wang Dianxun Zheng Shijun Meng Lingpeng Cai Xinhua Dai Cuichen Xu Guangzhi |
| Affiliation: | Institute of Chemistry, Academia Sincia, Beijing 100080| Department of Chemistry, La Trobe University, Bundoora Vic, Australia 3083 |
| Abstract: | HeI ultraviolet photoelectron spectra of some thienyl polyethylenic dimethyl malonates compoundsf(1),(2),(3)(to see Fig.1)have been given in this paper. The assignment of the spectra are also done using the optimized MNDO molecular orbital calculation for each studied molecules. It is shown that the linear reduction of HOMO ionization energy (Ip) which is mainly antiboding in character of ethylenic group with the increment of ethylenic group number is fortunately the basis of the homologous lineax rule of this series of compounds. And it is also pointed out that weight of two -COOCH3 groups in the HoMO orbital is very small, that is to say, they can not be differentiated as the terminal or substituent. |
| Keywords: | Gas phase UPS Thienyl polyethylenic dimethyl malonates compounds MNDO molecular orbital calculations |
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