Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5159
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Reva, I. D. | - |
dc.contributor.author | Stepanian, S. G. | - |
dc.contributor.author | Adamowicz, L. | - |
dc.contributor.author | Fausto, R. | - |
dc.date.accessioned | 2008-09-01T15:04:58Z | - |
dc.date.available | 2008-09-01T15:04:58Z | - |
dc.date.issued | 2003 | en_US |
dc.identifier.citation | Chemical Physics Letters. 374:5-6 (2003) 631-638 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5159 | - |
dc.description.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. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6TFN-48TKJKM-10/1/c820c83eb483dc2d94efa8527f1cbd9c | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.title | Missing conformers. Comparative study of conformational cooling in cyanoacetic acid and methyl cyanoacetate isolated in low temperature inert gas matrixes | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/S0009-2614(03)00782-6 | - |
uc.controloAutoridade | Sim | - |
item.fulltext | Com Texto completo | - |
item.grantfulltext | open | - |
item.languageiso639-1 | en | - |
item.cerifentitytype | Publications | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0001-5983-7743 | - |
crisitem.author.orcid | 0000-0002-8264-6854 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
filebabb34c10bce4967a1f8daaa3bb19432.pdf | 310.38 kB | Adobe PDF | View/Open |
SCOPUSTM
Citations
102
checked on Nov 9, 2022
WEB OF SCIENCETM
Citations
50
98
checked on May 2, 2023
Page view(s)
386
checked on Oct 8, 2024
Download(s)
317
checked on Oct 8, 2024
Google ScholarTM
Check
Altmetric
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.