Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5159
Title: Missing conformers. Comparative study of conformational cooling in cyanoacetic acid and methyl cyanoacetate isolated in low temperature inert gas matrixes
Authors: Reva, I. D. 
Stepanian, S. G. 
Adamowicz, L. 
Fausto, R. 
Issue Date: 2003
Citation: Chemical Physics Letters. 374:5-6 (2003) 631-638
Abstract: A comparative conformational study of two related systems, methyl cyanoacetate (MCA) and cyanoacetic acid (CAA), is presented. Ab initio calculations predicted that both systems have two nearly isoenergetic conformers separated by similar low energy barriers (about 3 kJ mol-1). In xenon matrixes deposited at temperatures above 40 K for MCA and above 20 K for CAA only one conformer was observed for each of the two systems. However, below those temperatures two MCA and two CAA conformers were trapped into the matrixes. Conformational cooling was found responsible for this behavior. Factors contributing to this effect are discussed.
URI: http://hdl.handle.net/10316/5159
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

Files in This Item:
File Description SizeFormat
filebabb34c10bce4967a1f8daaa3bb19432.pdf310.38 kBAdobe PDFView/Open
Show full item record

Page view(s)

128
checked on Oct 15, 2019

Download(s)

65
checked on Oct 15, 2019

Google ScholarTM

Check


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