English  |  正體中文  |  简体中文  |  全文筆數/總筆數 : 6507/11669
造訪人次 : 30070305      線上人數 : 588
RC Version 3.2 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.
搜尋範圍 進階搜尋

請使用永久網址來引用或連結此文件: http://ir.ncue.edu.tw/ir/handle/987654321/10061

題名: Computational Study on the Stability of Imidazol-2-ylidenes and Imidazolin-2-ylidenes
作者: Cheng, M. J.;Hu, Ching-Han
貢獻者: 化學系
日期: 2001-12
上傳時間: 2012-05-03T06:17:00Z
出版者: Elsevier
摘要: The dimerization reactions of 12 cyclic diaminocarbenes have been studied using density functional theory (DFT). The activation energies (Ea) and reaction energies (ΔE) for the dimerizations of imidazol-2-ylidenes are larger than those of imidazolin-2-ylidenes. It was observed that Ea of dimerization is approximately proportional to the singlet–triplet energy separation (ΔES–T), aromatic stabilization energy (ASE), and ΔE of the carbene. Excellent linear correlation is seen between Ea and ASE. Contrary to previous suggestions, we found that 4,5-dichloro substitutions decrease the stability of imidazol(in)-2-ylidenes. Steric effects on Ea occur noticeably as isopropyl (i-Pr) substitutions are introduced to the carbenes.
關聯: Chemical Physics Letters, 349(5-6): 477-482
顯示於類別:[化學系] 期刊論文

文件中的檔案:

檔案 大小格式瀏覽次數
index.html0KbHTML641檢視/開啟


在NCUEIR中所有的資料項目都受到原著作權保護.

 

DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library IR team Copyright ©   - 回饋