IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices
Autor(a) principal: | |
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Data de Publicação: | 2004 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/10354 https://doi.org/10.1021/jp0483627 |
Resumo: | Glycolic acid (HO−CH2−COOH) monomers isolated in low-temperature argon and krypton matrices were studied using FTIR spectroscopy. The most stable SSC conformer of the compound dominated in the matrices immediately after their deposition. Upon broadband infrared irradiation, two minor conformers (GAC and AAT) were photogenerated. No other forms of glycolic acid were populated, either thermally or photochemically. Systematic monitoring of the progress of the IR-induced phototransformations (over a time scale of 20−140 min) allowed one to distinguish between the primary (GAC) and secondary (AAT) photoproducts. The assignment of experimental spectra to the different conformers was based on the results of IR irradiation of the samples and was assisted by the theoretical calculations carried out at the MP2/aug-cc-pVDZ level. Theoretical pathways for intramolecular rotation in the glycolic acid monomer were investigated at the MP2/6-31++G(d,p) level. Lack of conformers other than SSC, GAC, and AAT in the IR-irradiated matrices was explained in terms of energy barriers separating different forms of the compound. |
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IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert MatricesGlycolic acid (HO−CH2−COOH) monomers isolated in low-temperature argon and krypton matrices were studied using FTIR spectroscopy. The most stable SSC conformer of the compound dominated in the matrices immediately after their deposition. Upon broadband infrared irradiation, two minor conformers (GAC and AAT) were photogenerated. No other forms of glycolic acid were populated, either thermally or photochemically. Systematic monitoring of the progress of the IR-induced phototransformations (over a time scale of 20−140 min) allowed one to distinguish between the primary (GAC) and secondary (AAT) photoproducts. The assignment of experimental spectra to the different conformers was based on the results of IR irradiation of the samples and was assisted by the theoretical calculations carried out at the MP2/aug-cc-pVDZ level. Theoretical pathways for intramolecular rotation in the glycolic acid monomer were investigated at the MP2/6-31++G(d,p) level. Lack of conformers other than SSC, GAC, and AAT in the IR-irradiated matrices was explained in terms of energy barriers separating different forms of the compound.American Chemical Society2004-08-26info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/10354http://hdl.handle.net/10316/10354https://doi.org/10.1021/jp0483627engThe Journal of Physical Chemistry A. 108:34 (2004) 6982-69891089-5639Reva, Igor D.Jarmelo, SusanaLapinski, LeszekFausto, Ruiinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2020-03-06T11:03:16Zoai:estudogeral.uc.pt:10316/10354Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:13.442425Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
title |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
spellingShingle |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices Reva, Igor D. |
title_short |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
title_full |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
title_fullStr |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
title_full_unstemmed |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
title_sort |
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices |
author |
Reva, Igor D. |
author_facet |
Reva, Igor D. Jarmelo, Susana Lapinski, Leszek Fausto, Rui |
author_role |
author |
author2 |
Jarmelo, Susana Lapinski, Leszek Fausto, Rui |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Reva, Igor D. Jarmelo, Susana Lapinski, Leszek Fausto, Rui |
description |
Glycolic acid (HO−CH2−COOH) monomers isolated in low-temperature argon and krypton matrices were studied using FTIR spectroscopy. The most stable SSC conformer of the compound dominated in the matrices immediately after their deposition. Upon broadband infrared irradiation, two minor conformers (GAC and AAT) were photogenerated. No other forms of glycolic acid were populated, either thermally or photochemically. Systematic monitoring of the progress of the IR-induced phototransformations (over a time scale of 20−140 min) allowed one to distinguish between the primary (GAC) and secondary (AAT) photoproducts. The assignment of experimental spectra to the different conformers was based on the results of IR irradiation of the samples and was assisted by the theoretical calculations carried out at the MP2/aug-cc-pVDZ level. Theoretical pathways for intramolecular rotation in the glycolic acid monomer were investigated at the MP2/6-31++G(d,p) level. Lack of conformers other than SSC, GAC, and AAT in the IR-irradiated matrices was explained in terms of energy barriers separating different forms of the compound. |
publishDate |
2004 |
dc.date.none.fl_str_mv |
2004-08-26 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10316/10354 http://hdl.handle.net/10316/10354 https://doi.org/10.1021/jp0483627 |
url |
http://hdl.handle.net/10316/10354 https://doi.org/10.1021/jp0483627 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
The Journal of Physical Chemistry A. 108:34 (2004) 6982-6989 1089-5639 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
American Chemical Society |
publisher.none.fl_str_mv |
American Chemical Society |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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1799133904737665024 |