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| N,N-二苯甲酰-半胱氨酸甲酯的合成及理论研究 | |
| 引用本文： | 仲志峰,朱玉兰,曹丽,周鑫鑫.N,N-二苯甲酰-半胱氨酸甲酯的合成及理论研究[J].淮阴师范学院学报(自然科学版),2007,6(2):144-148. |
| 作者姓名： | 仲志峰 朱玉兰 曹丽 周鑫鑫 |
| 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,江苏,淮安,223300;延边大学理学院,化学系,吉林,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,江苏,淮安,223300 3. 延边大学理学院,化学系,吉林,延吉,133002 |
| 基金项目： | 国家自然科学基金资助项目(20671038)，江苏省低维材料化学重点建设实验室基金资助项目(JSKC05016) |
| 摘 要： | 以L-半胱氨酸为原料,合成了N,N-二苯甲酰-半胱氨酸甲酯,通过元素分析、FTIR、UV-vis1、H-NMR1、3C-NMR和MS对标题化合物进行表征并确定其结构.运用Gaussian 03量化程序包,采用B3LYP密度泛函(DFT)的方法,在6-31G(d)水平上对分子的几何构型进行了优化,在优化的基础上用含时密度泛函(TDDFT)方法计算了化合物的电子光谱,计算值与实验值基本吻合. |
| 关 键 词： | 半胱氨酸衍生物 电子光谱 密度泛函理论 |
| 文章编号： | 1671-6876（2007）02-0144-05 |
| 修稿时间： | 2007-03-03 |
Synethesis and Properities of N,N-bis-(Benzoyl)-Methyl Cysteine |
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| ZHONG Zhi-feng,ZHU Yu-lan,CAO Li,ZHOU Xin-xin.Synethesis and Properities of N,N-bis-(Benzoyl)-Methyl Cysteine[J].Journal of Huaiyin Teachers College(Natrual Science Edition),2007,6(2):144-148. | |
| Authors: | ZHONG Zhi-feng ZHU Yu-lan CAO Li ZHOU Xin-xin |
| Institution: | 1. Department of Chemistry, Huaiyin Teachers College, Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaian Jiangsu 223300, China;2. Department of Chemistry, College of Science, Yanbian University, Yanji Jilin 133002, China |
| Abstract: | N,N-bis-(benzoyl)-methyl cysteine was synthesized and characterized by element analyses,FTIR,UV-Vis,1H-NMR,13C-NMR and MS.Theoretical calculations were performed.The electronic spectrum of C18H17NO4S was studied by using Time-Dependent Density Functional Theory(TDDFT) method on the basis of the optimized geometrical structure with B3LYP method.The obtained results are consistent with the experimental data. |
| Keywords: | cysteine derivative electronic spectrum DFT |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ | |