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| 2-(2,5-二羟基苯基)-5-甲基-2,5-二氢吡咯并[3,4]富勒烯的合成和电子光谱的理论研究 | |
| 引用本文： | 尹起范,朱玉兰,曹丽,阚玉和,周建峰,南京熙,苏忠民.2-(2,5-二羟基苯基)-5-甲基-2,5-二氢吡咯并[3,4]富勒烯的合成和电子光谱的理论研究[J].化学学报,2005,63(20):1866-1870. |
| 作者姓名： | 尹起范 朱玉兰 曹丽 阚玉和 周建峰 南京熙 苏忠民 |
| 作者单位： | 1. 淮阴师范学院化学系,江苏省低维材料化学重点建设实验室,淮安,223300;延边大学理工学院化学系,延吉,133002 2. 淮阴师范学院化学系,江苏省低维材料化学重点建设实验室,淮安,223300 3. 淮阴师范学院化学系,江苏省低维材料化学重点建设实验室,淮安,223300;东北师范大学化学学院功能材料化学研究所,长春,130024 4. 延边大学理工学院化学系,延吉,133002 5. 东北师范大学化学学院功能材料化学研究所,长春,130024 |
| 基金项目： | 国家自然科学基金（No.20162005）、江苏省教育厅自然科学基金（No.04KJD150035）、江苏省低维材料化学重点建设实验室开放课题基金资助项目. |
| 摘 要： | 利用丙氨酸和2,5-二羟基苯甲醛所形成的亚胺叶立德与C60发生1,3-偶极环加成反应, 合成并分离、纯化制备了一种新的C60吡咯烷衍生物: 2-(2-5-二羟基苯基)-5-甲基-2,5-二氢吡咯并3,4]富勒烯. 通过1H NMR, FT-IR, UV-vis和元素分析确定了其结构, 研究了体系的电化学和荧光性质. 采用密度泛函的方法, 在B3LYP/6-31G水平上对分子的几何构型进行了优化, 得到稳定的几何构型; 运用INDO/S方法计算了化合物的电子光谱, 计算结果434.2 nm与实验值432.0 nm基本一致. |
| 关 键 词： | C60吡咯烷衍生物 循环伏安 电子光谱 密度泛函 |
| 收稿时间： | 2005-12-1 |
| 修稿时间： | 2005-6-17 |
Synthesis of [2-(2,5-Dihydroxyphenyl)-5-methyl-2,5-dihydropyrrolino]- [3,4]fullerene and Theoretical Studies on Its Electronic Spectra |
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| YIN Qi-Fan,ZHU Yu-Lan,CAO Li,KAN Yu-He,ZHOU Jian-Feng,NAN Jing-Xi,SU Zhong-Min.Synthesis of [2-(2,5-Dihydroxyphenyl)-5-methyl-2,5-dihydropyrrolino]- [3,4]fullerene and Theoretical Studies on Its Electronic Spectra[J].Acta Chimica Sinica,2005,63(20):1866-1870. | |
| Authors: | YIN Qi-Fan ZHU Yu-Lan CAO Li KAN Yu-He ZHOU Jian-Feng NAN Jing-Xi SU Zhong-Min |
| Institution: | (Department of Chemistry, Huaiyin Teachers’ College, Jiangsu Key Laboratory for Chemistry of Low-dimensional Materials, Huai′an 223300)(Department of Chemistry, Science and Engineering College, Yanbian University, Yanji 133002)(Institute of Functional Material Chemistry, Northeast Normal University, Changchun 130024) |
| Abstract: | A new compound 2-(2,5-dihydroxyphenyl)-5-methyl-2,5-dihydropyrrolino]3,4]fullerene was synthesized by the 1,3-dipolar cycloaddition reaction between the fullerene (C60) and azomethine ylide (prepared from 2-aminopropanoic acid and 2,5-dihydroxybenzal), which was characterized by 1H NMR, FT-IR, UV-vis spectra and elemental analysis. Its properties of electrochemistry and fluorescence were also studied. The geometry configurations of the compound were optimized using the density functional theory at B3LYP/6-31G level. The electronic spectra of the compound were studied by INDO/S method. The computational result (434.2 nm) accorded with the experimental one (432.0 nm). |
| Keywords: | C60-pyrrolidine derivative cyclic voltammetry electronic spectra density functional theory |
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