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| C60吡咯烷衍生物的合成及其理论研究 | |
| 引用本文： | 朱玉兰,阚玉和,杨彦杰,李锦莲,南京熙.C60吡咯烷衍生物的合成及其理论研究[J].淮阴师范学院学报(自然科学版),2002,1(1):62-66. |
| 作者姓名： | 朱玉兰 阚玉和 杨彦杰 李锦莲 南京熙 |
| 作者单位： | 1. 淮阴师范学院,化学系,江苏,淮安,223001;延边大学理工学院,化学系,吉林,延吉,133002 2. 延边大学理工学院,化学系,吉林,延吉,133002;东北师范大学化学学院,功能材料化学研究所,长春,130024 3. 延边大学理工学院,化学系,吉林,延吉,133002 |
| 基金项目： | 国家自然科学基金资助项目(2 0 162 0 0 5)，吉林省教委自然科学基金资助项目(2 0 0 3 8) |
| 摘 要： | 通过1,3-偶极环加成方法合成了一种新的C60吡咯烷衍生物C72H17NO2,并以FTIR、元素分析、1H NMR、13C NMR、UV-Vis进行了表征,测定了产物的循环伏安图.用量子化学半经验AM1及INDO/CI方法研究了产物的结构和光谱性质, 以全自由度优化几何构型为基础,计算了化合物的电子光谱, 在435.9*!nm出现了非C60的特征吸收峰,结果与实验值一致.本文对电子的跃迁进行理论指认, 并分析了光谱红移的原因. |
| 关 键 词： | C60吡咯烷衍生物 电子光谱 循环伏安图 INDO/CI |
| 文章编号： | 1671-6876(2002)01-0062-05 |
| 修稿时间： | 2002年1月11日 |
Synthesis of C60-pyrrolidine Derivative C72H17NO2 and Its Theoretical Studies |
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| Synthesis of C-pyrrolidine Derivative CHNO and Its Theoretical Studies.Synthesis of C60-pyrrolidine Derivative C72H17NO2 and Its Theoretical Studies[J].Journal of Huaiyin Teachers College(Natrual Science Edition),2002,1(1):62-66. | |
| Authors: | Synthesis of C-pyrrolidine Derivative CHNO and Its Theoretical Studies |
| Institution: | Synthesis of C60-pyrrolidine Derivative C72H17NO2 and Its Theoretical Studies |
| Abstract: | Dipolar cycloaddition of azomethine ylide prepared via the reaction between valine and vamillin to C 60 rise to new C 60 pyrrolidine derivative C 72 H 17 NO 2 . The molecular structure was identified and characterized by FTIR, UV Vis, 1H -NMR, 13 C-NMR and elementary analysis. The electrochemical properties of the compound have been studied by cyclic voltammetry. The electronic spectra of C 60 pyrrolidine derivatives were studied by using INDO/CI method on the basis of the optimized geometrics with AM1 method. It was shown that the exception of the absorption beyond 435.9?nm. The results are in good accordance with the experiment value. The reason for red shift of the spectra has also been discussed theoretically. |
| Keywords: | C 60 pyrrolidine electronic spectra cyclic voltammetry AM1 INDO/CI |
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