DSpace
 

DSpace at IIT Bombay >
IITB Publications >
Article >

Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/3699

Title: Ab initio and density functional theory evidence on the rate-limiting step in the Morita-Baylis-Hiliman reaction
Authors: ROY, D
SUNOJ, RB
Keywords: hillman reaction
rate acceleration
mechanism
catalysis
solvents
water
Issue Date: 2007
Publisher: AMER CHEMICAL SOC
Citation: ORGANIC LETTERS, 9(23), 4873-4876
Abstract: The first ab initio and DFT studies on the mechanism of the MBH reaction show that the rate-limiting step involves an intramolecular proton transfer in the zwitterionic intermediate generated by the addition of enolate to electrophile. The activation barrier for the C-C bond-formation is found to be 20.2 kcal/mol lower than the proton-transfer step for the MBH reaction between methyl vinyl ketone and benzaldehyde catalyzed by DABCO.
URI: http://dx.doi.org/10.1021/ol702211d
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3699
http://hdl.handle.net/10054/3699
ISSN: 1523-7060
Appears in Collections:Article

Files in This Item:

There are no files associated with this item.

View Statistics

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

 

Valid XHTML 1.0! DSpace Software Copyright © 2002-2010  Duraspace - Feedback