Conformational properties of trimethyl phosphate monomer
Autor(a) principal: | |
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Data de Publicação: | 2005 |
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/10316/5104 https://doi.org/10.1016/j.cplett.2005.02.067 |
Resumo: | Conformational isomerism of trimethylphosphate (TMP) has been studied de novo. TMP monomers were isolated in low temperature xenon matrices at different substrate temperatures and characterized using FTIR spectroscopy. At the lowest temperature, three different conformers, with overall molecular symmetries C3, C1 and Cs, were shown to co-exist in the matrix. Increase of the sample temperature led to conformational cooling, with the two minor conformers being depopulated successively, following an order of increasing stability. Initially, the less stable Cs conformer converted to the C1 form and, at higher temperatures, the C1 conformer converted to the global energy minimum, C3. Interpretation of the experimental data was supported by extensive calculations of the vibrational spectra and barriers to the conformational interconversion. |
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Conformational properties of trimethyl phosphate monomerConformational isomerism of trimethylphosphate (TMP) has been studied de novo. TMP monomers were isolated in low temperature xenon matrices at different substrate temperatures and characterized using FTIR spectroscopy. At the lowest temperature, three different conformers, with overall molecular symmetries C3, C1 and Cs, were shown to co-exist in the matrix. Increase of the sample temperature led to conformational cooling, with the two minor conformers being depopulated successively, following an order of increasing stability. Initially, the less stable Cs conformer converted to the C1 form and, at higher temperatures, the C1 conformer converted to the global energy minimum, C3. Interpretation of the experimental data was supported by extensive calculations of the vibrational spectra and barriers to the conformational interconversion.http://www.sciencedirect.com/science/article/B6TFN-4FR3NNR-3/1/99abc48e3ee6bc2019eea8c548457a172005info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5104http://hdl.handle.net/10316/5104https://doi.org/10.1016/j.cplett.2005.02.067engChemical Physics Letters. 406:1-3 (2005) 126-136Reva, IgorSimão, AlcidesFausto, 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:RCAAP2020-11-06T16:48:56Zoai:estudogeral.uc.pt:10316/5104Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:18.902886Repositório 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 |
Conformational properties of trimethyl phosphate monomer |
title |
Conformational properties of trimethyl phosphate monomer |
spellingShingle |
Conformational properties of trimethyl phosphate monomer Reva, Igor |
title_short |
Conformational properties of trimethyl phosphate monomer |
title_full |
Conformational properties of trimethyl phosphate monomer |
title_fullStr |
Conformational properties of trimethyl phosphate monomer |
title_full_unstemmed |
Conformational properties of trimethyl phosphate monomer |
title_sort |
Conformational properties of trimethyl phosphate monomer |
author |
Reva, Igor |
author_facet |
Reva, Igor Simão, Alcides Fausto, Rui |
author_role |
author |
author2 |
Simão, Alcides Fausto, Rui |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Reva, Igor Simão, Alcides Fausto, Rui |
description |
Conformational isomerism of trimethylphosphate (TMP) has been studied de novo. TMP monomers were isolated in low temperature xenon matrices at different substrate temperatures and characterized using FTIR spectroscopy. At the lowest temperature, three different conformers, with overall molecular symmetries C3, C1 and Cs, were shown to co-exist in the matrix. Increase of the sample temperature led to conformational cooling, with the two minor conformers being depopulated successively, following an order of increasing stability. Initially, the less stable Cs conformer converted to the C1 form and, at higher temperatures, the C1 conformer converted to the global energy minimum, C3. Interpretation of the experimental data was supported by extensive calculations of the vibrational spectra and barriers to the conformational interconversion. |
publishDate |
2005 |
dc.date.none.fl_str_mv |
2005 |
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/10316/5104 http://hdl.handle.net/10316/5104 https://doi.org/10.1016/j.cplett.2005.02.067 |
url |
http://hdl.handle.net/10316/5104 https://doi.org/10.1016/j.cplett.2005.02.067 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Chemical Physics Letters. 406:1-3 (2005) 126-136 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
aplication/PDF |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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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) |
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 |
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