Molecular structure and infrared spectra of dimethyl oxalate
Autor(a) principal: | |
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Data de Publicação: | 2002 |
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/10316/17709 https://doi.org/10.1039/B107232N |
Resumo: | Infrared spectra of dimethyl oxalate isolated in low-temperature argon matrix and of the compound in the solid amorphous and crystalline state are reported. The experimental observations are interpreted in terms of a large amplitude, low frequency vibration along the torsional coordinate OC–CO. Assumption of the large amplitude vibration allows consistent explanation of the spectra observed in matrixes and in the gas phase, and the differences between these and the spectrum of the compound in the crystalline state, in which the planar trans structure is fixed. IR spectra of crystalline dimethyl oxalate clearly show that in the relaxed crystal lattice only the trans form is populated. Davydov splitting, due to the presence of two molecules per unit cell, was observed for several bands in the IR spectrum of the crystalline compound. |
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Molecular structure and infrared spectra of dimethyl oxalateInfrared spectra of dimethyl oxalate isolated in low-temperature argon matrix and of the compound in the solid amorphous and crystalline state are reported. The experimental observations are interpreted in terms of a large amplitude, low frequency vibration along the torsional coordinate OC–CO. Assumption of the large amplitude vibration allows consistent explanation of the spectra observed in matrixes and in the gas phase, and the differences between these and the spectrum of the compound in the crystalline state, in which the planar trans structure is fixed. IR spectra of crystalline dimethyl oxalate clearly show that in the relaxed crystal lattice only the trans form is populated. Davydov splitting, due to the presence of two molecules per unit cell, was observed for several bands in the IR spectrum of the crystalline compound.Royal Society of Chemistry2002info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/17709http://hdl.handle.net/10316/17709https://doi.org/10.1039/B107232NengLopes, Susy BrancoLapinski, 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:RCAAP2020-03-24T10:58:48Zoai:estudogeral.uc.pt:10316/17709Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:43.334672Repositório 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 |
Molecular structure and infrared spectra of dimethyl oxalate |
title |
Molecular structure and infrared spectra of dimethyl oxalate |
spellingShingle |
Molecular structure and infrared spectra of dimethyl oxalate Lopes, Susy Branco |
title_short |
Molecular structure and infrared spectra of dimethyl oxalate |
title_full |
Molecular structure and infrared spectra of dimethyl oxalate |
title_fullStr |
Molecular structure and infrared spectra of dimethyl oxalate |
title_full_unstemmed |
Molecular structure and infrared spectra of dimethyl oxalate |
title_sort |
Molecular structure and infrared spectra of dimethyl oxalate |
author |
Lopes, Susy Branco |
author_facet |
Lopes, Susy Branco Lapinski, Leszek Fausto, Rui |
author_role |
author |
author2 |
Lapinski, Leszek Fausto, Rui |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Lopes, Susy Branco Lapinski, Leszek Fausto, Rui |
description |
Infrared spectra of dimethyl oxalate isolated in low-temperature argon matrix and of the compound in the solid amorphous and crystalline state are reported. The experimental observations are interpreted in terms of a large amplitude, low frequency vibration along the torsional coordinate OC–CO. Assumption of the large amplitude vibration allows consistent explanation of the spectra observed in matrixes and in the gas phase, and the differences between these and the spectrum of the compound in the crystalline state, in which the planar trans structure is fixed. IR spectra of crystalline dimethyl oxalate clearly show that in the relaxed crystal lattice only the trans form is populated. Davydov splitting, due to the presence of two molecules per unit cell, was observed for several bands in the IR spectrum of the crystalline compound. |
publishDate |
2002 |
dc.date.none.fl_str_mv |
2002 |
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/10316/17709 http://hdl.handle.net/10316/17709 https://doi.org/10.1039/B107232N |
url |
http://hdl.handle.net/10316/17709 https://doi.org/10.1039/B107232N |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Royal Society of Chemistry |
publisher.none.fl_str_mv |
Royal Society of Chemistry |
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) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799133907873955840 |