| 某些噻唑偶氮苯酚类试剂结构与性能关系的理论研究 |
| |
| 引用本文： | 吴念慈,朱建国,蔡国强. 某些噻唑偶氮苯酚类试剂结构与性能关系的理论研究[J]. 化学研究与应用, 1991, 0(2) |
| |
| 作者姓名： | 吴念慈 朱建国 蔡国强 |
| |
| 作者单位： | 杭州大学化学系 310028(吴念慈，朱建国)，浙江大学 310027(蔡国强) |
| |
| 摘 要： | 噻唑偶氮试剂广泛应用于分析化学,近十来年发展较快,迄今已有170余种,但其结构和性能关系的理论研究报导较少。本文选取2-(2-噻唑偶氮)苯酚(简称TAP)及其九种甲基取代衍生物(见表1),用CNDO/2方法研究其结构与碱性关系,讨论这些试剂与金属离子螯合的可能位置,其结果和实验基本一致。计算分子构型所用TAP骨架取由文献,甲基用标准构型。原子编号见图1,计算在IBM PC/AT微机上完成。
|
| 关 键 词： | TAP TAP甲基衍生物 CNDO/2 |
THEORETICAL STUDY ON THE RELATIONSHIPS BETWEEN PROPERTIES AND STRUCTURES IN SOME THIAZOLYAZO PHENOL AGENTS |
| |
| Wu Nianci,Zhu Jianguo,Cai Guoqiang. THEORETICAL STUDY ON THE RELATIONSHIPS BETWEEN PROPERTIES AND STRUCTURES IN SOME THIAZOLYAZO PHENOL AGENTS[J]. Chemical Research and Application, 1991, 0(2) |
| |
| Authors: | Wu Nianci Zhu Jianguo Cai Guoqiang |
| |
| Affiliation: | Wu Nianci,Zhu Jianguo,Cai Guoqiang Department of Chemistry,Hangzhou University,Hangzhou 310028 Zhejiang University,Hangzhou 310027 |
| |
| Abstract: | We have studied the relationships between the basicities and the molecular structures in 2- (2'-thiazolylazo) phenol and its methyl derivatives by CNDO/2 method. The results are in agreement with experiments. We have also discussed the probably positions bonding with metal ions in these molecules according to the charge densities. |
| |
| Keywords: | TAP TAP methyl derivative CNDO/2 |
| 本文献已被 CNKI 等数据库收录！ |
|
