Infrared spectroscopy of racemic and enantiomeric forms of atenolol

Detalhes bibliográficos
Autor(a) principal: Castro, R. A. Esteves de
Data de Publicação: 2007
Outros Autores: Canotilho, João, Barbosa, Rui M., Redinha, J. Simões
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10316/5040
https://doi.org/10.1016/j.saa.2006.10.007
Resumo: The molecular structure of conformational isomorphs given by X-ray diffraction for racemic and enantiomeric atenolol were optimized at the HF/6-31G* level of theory and the infrared spectra of the structure were calculated. These spectra are used to characterize the differences between the various atenolol conformers.
id RCAP_8d1877ebed2b2bf735360c6f2844d1ed
oai_identifier_str oai:estudogeral.uc.pt:10316/5040
network_acronym_str RCAP
network_name_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository_id_str 7160
spelling Infrared spectroscopy of racemic and enantiomeric forms of atenololAtenolol[beta]-BlockersChiral drugsIR spectroscopyConformational isomorphismThe molecular structure of conformational isomorphs given by X-ray diffraction for racemic and enantiomeric atenolol were optimized at the HF/6-31G* level of theory and the infrared spectra of the structure were calculated. These spectra are used to characterize the differences between the various atenolol conformers.http://www.sciencedirect.com/science/article/B6VNG-4M3R2CM-5/1/b10f1bad0cbecc44994eccae4c701ec72007info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleaplication/PDFhttp://hdl.handle.net/10316/5040http://hdl.handle.net/10316/5040https://doi.org/10.1016/j.saa.2006.10.007engSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 67:5 (2007) 1194-1200Castro, R. A. Esteves deCanotilho, JoãoBarbosa, Rui M.Redinha, J. Simõesinfo: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:RCAAP2021-10-15T14:11:22Zoai:estudogeral.uc.pt:10316/5040Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:01:13.360566Repositório 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 Infrared spectroscopy of racemic and enantiomeric forms of atenolol
title Infrared spectroscopy of racemic and enantiomeric forms of atenolol
spellingShingle Infrared spectroscopy of racemic and enantiomeric forms of atenolol
Castro, R. A. Esteves de
Atenolol
[beta]-Blockers
Chiral drugs
IR spectroscopy
Conformational isomorphism
title_short Infrared spectroscopy of racemic and enantiomeric forms of atenolol
title_full Infrared spectroscopy of racemic and enantiomeric forms of atenolol
title_fullStr Infrared spectroscopy of racemic and enantiomeric forms of atenolol
title_full_unstemmed Infrared spectroscopy of racemic and enantiomeric forms of atenolol
title_sort Infrared spectroscopy of racemic and enantiomeric forms of atenolol
author Castro, R. A. Esteves de
author_facet Castro, R. A. Esteves de
Canotilho, João
Barbosa, Rui M.
Redinha, J. Simões
author_role author
author2 Canotilho, João
Barbosa, Rui M.
Redinha, J. Simões
author2_role author
author
author
dc.contributor.author.fl_str_mv Castro, R. A. Esteves de
Canotilho, João
Barbosa, Rui M.
Redinha, J. Simões
dc.subject.por.fl_str_mv Atenolol
[beta]-Blockers
Chiral drugs
IR spectroscopy
Conformational isomorphism
topic Atenolol
[beta]-Blockers
Chiral drugs
IR spectroscopy
Conformational isomorphism
description The molecular structure of conformational isomorphs given by X-ray diffraction for racemic and enantiomeric atenolol were optimized at the HF/6-31G* level of theory and the infrared spectra of the structure were calculated. These spectra are used to characterize the differences between the various atenolol conformers.
publishDate 2007
dc.date.none.fl_str_mv 2007
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/10316/5040
http://hdl.handle.net/10316/5040
https://doi.org/10.1016/j.saa.2006.10.007
url http://hdl.handle.net/10316/5040
https://doi.org/10.1016/j.saa.2006.10.007
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 67:5 (2007) 1194-1200
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv aplication/PDF
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
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str 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
_version_ 1799133904735567872

Registros relacionados