National Changhua University of Education Institutional Repository : Item 987654321/10081

English | 正體中文 | 简体中文 | Items with full text/Total items : 6507/11669
Visitors : 30006948 Online Users : 380

RC Version 3.2 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.

Scope Adv. Search

Login ‧ Upload ‧ Help ‧ About ‧ Administer

NCUEIR > College of Science > Department of Chemistry > Periodical Articles > Item 987654321/10081

Please use this identifier to cite or link to this item: http://ir.ncue.edu.tw/ir/handle/987654321/10081

Title:	Theoretical Study on the Mechanism of N-heterocyclic Carbene Catalyzed Transesterification Reactions
Authors:	Lai, C. L.;Lee, H. M.;Hu, Ching-Han
Contributors:	化學系
Date:	2005-09
Issue Date:	2012-05-03T06:17:54Z
Publisher:	Elsevier
Abstract:	The mechanism of N-heterocyclic carbene (NHC) catalyzed transesterification reactions have been studied using density functional theory. Our study shows that the role of NHC is to assist proton transfer from alcohol to the carbonyl oxygen, forming the tetrahedral intermediate, which then decomposes to the acylated product. Our predicted activation energies are in fine agreement with the observed reaction rates. An alternative approach, which uses the tetrahedral intermediate as the transition state mimic, provides satisfactory predictions.
Relation:	Tetrahedron Lett., 46(37): 6265-6270
Appears in Collections:	[Department of Chemistry] Periodical Articles

Files in This Item:

File	Size	Format
index.html	0Kb	HTML	778	View/Open