Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5136
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Reva, Igor D. | - |
dc.contributor.author | Jarmelo, Susana | - |
dc.contributor.author | Lapinski, Leszek | - |
dc.contributor.author | Fausto, Rui | - |
dc.date.accessioned | 2008-09-01T15:04:34Z | - |
dc.date.available | 2008-09-01T15:04:34Z | - |
dc.date.issued | 2004 | en_US |
dc.identifier.citation | Chemical Physics Letters. 389:1-3 (2004) 68-74 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5136 | - |
dc.description.abstract | The FT-IR spectra of monomeric glycolic acid, GA, isolated in argon and xenon matrices (at 10 and 20 K) were studied, enabling identification of three different conformers of GA. The most stable SSC conformer involves a hydrogen bond between the carbonyl group and the hydrogen atom of the alcohol hydroxyl group. The minor GAC and AAT forms involve intramolecular hydrogen bonds between alcohol and carboxyl OH groups, with alcohol and carboxylic groups serving as proton donors, respectively. The GAC conformer, predicted by theoretical calculations (at the DFT/B3LYP and MP2 levels with the 6-31++G(d,p) and aug-cc-pVDZ basis sets) as the second most stable form, was now experimentally identified for the first time. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6TFN-4C2FHSF-7/1/8b868591b7c14f11e4cc9abeb26b9e20 | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.title | First experimental evidence of the third conformer of glycolic acid: combined matrix isolation, FTIR and theoretical study | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/j.cplett.2004.03.062 | - |
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.dept | Universidade de Coimbra | - |
crisitem.author.parentdept | Institute of Interdisciplinary Research | - |
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 | 0000-0001-5771-458X | - |
crisitem.author.orcid | 0000-0003-2896-4007 | - |
crisitem.author.orcid | 0000-0002-8264-6854 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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filea78b5cb8b3a24d97b4d5eadc3946ef4b.pdf | 233.86 kB | Adobe PDF | View/Open |
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