Utilize este identificador para referenciar este registo:
https://hdl.handle.net/10316/91159
Campo DC | Valor | Idioma |
---|---|---|
dc.contributor.author | Lopes, Susy | - |
dc.contributor.author | Nikitin, Timur | - |
dc.contributor.author | Rui Fausto | - |
dc.date.accessioned | 2020-10-10T13:08:43Z | - |
dc.date.available | 2020-10-10T13:08:43Z | - |
dc.date.issued | 2020-06-16 | - |
dc.identifier.issn | 00092614 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/91159 | - |
dc.description.abstract | Methyl propiolate (HCtriple bondCCOOCH3, MP) isolated in argon and nitrogen matrices was experimentally studied by infrared spectroscopy and by quantum chemical calculations. The calculations, carried out at the DFT(B3LYP) and MP2 levels of theory, predict the existence of two conformers with a planar skeleton. In situ broadband UV light (λ > 200 nm) irradiation of matrix-isolated MP led to the production of new bands ascribed to conformer II testifying the occurrence of the I →II photoisomerization. No other photochemical processes were observed. Assignment of the IR spectra of both conformers is presented, considerably extending the vibrational information available for this molecule hitherto. | pt |
dc.language.iso | eng | pt |
dc.publisher | Elsevier | pt |
dc.relation | info:eu-repo/grantAgreement/PTDC/QEQ-QFI/3284/2014/PT | pt |
dc.relation | info:eu-repo/grantAgreement/POCI-01-0145-FEDER-01661/PT | pt |
dc.relation | info:eu-repo/grantAgreement/FCT/UI0313/QUI/2020/PT | pt |
dc.rights | embargoedAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.subject | Methyl propiolate | pt |
dc.subject | Photoinduced conformational change | pt |
dc.subject | Matrix isolation | pt |
dc.subject | IR spectra | pt |
dc.title | Matrix isolation study of methyl propiolate in argon and nitrogen matrices | pt |
dc.type | article | - |
degois.publication.firstPage | e137427 | pt |
degois.publication.title | Chemical Physics Letters | pt |
dc.relation.publisherversion | https://www.sciencedirect.com/science/article/abs/pii/S0009261420303420?via%3Dihub | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1016/j.cplett.2020.137427 | pt |
degois.publication.volume | 749 | pt |
dc.date.embargo | 2021-06-16 | * |
uc.date.periodoEmbargo | 365 | pt |
item.fulltext | Com Texto completo | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
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.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0002-7631-4597 | - |
crisitem.author.orcid | 0000-0002-0907-5936 | - |
crisitem.author.orcid | 0000-0002-8264-6854 | - |
Aparece nas coleções: | I&D CQC - Artigos em Revistas Internacionais |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
Chem_Phys_Lett_749_2020_137427.pdf | 723.16 kB | Adobe PDF | Ver/Abrir |
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