Solvent Effects on Electronic Circular Dichroism Spectra

Detalhes bibliográficos
Autor(a) principal: De Souza, Aguinaldo Robinson [UNESP]
Data de Publicação: 2017
Outros Autores: Ximenes, Valdecir Farias [UNESP], Morgon, Nelson Henrique
Tipo de documento: Capítulo de livro
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1021/bk-2017-1258.ch007
http://hdl.handle.net/11449/233143
Resumo: The Electronic Circular Dichroism Spectrum (ECD) is a valuable tool to study the unknown absolute configuration of an optically active molecule. And the comparison between experimental data and theoretical computational calculations has been a successful strategy for this study. However, the ECD spectrum is very sensitive to solvent effects that significantly change the character of the results obtained. This chapter is focused on the study of the solvent effects and their application in both experimental and computational chemistry of ECD of the compound 3,3′-dibromo-1,1′-bi-2-naphthol.
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spelling Solvent Effects on Electronic Circular Dichroism SpectraThe Electronic Circular Dichroism Spectrum (ECD) is a valuable tool to study the unknown absolute configuration of an optically active molecule. And the comparison between experimental data and theoretical computational calculations has been a successful strategy for this study. However, the ECD spectrum is very sensitive to solvent effects that significantly change the character of the results obtained. This chapter is focused on the study of the solvent effects and their application in both experimental and computational chemistry of ECD of the compound 3,3′-dibromo-1,1′-bi-2-naphthol.Department of Chemistry São Paulo State UniversityInstitute of Chemistry Campinas State UniversityDepartment of Chemistry São Paulo State UniversityUniversidade Estadual Paulista (UNESP)Universidade Estadual de Campinas (UNICAMP)De Souza, Aguinaldo Robinson [UNESP]Ximenes, Valdecir Farias [UNESP]Morgon, Nelson Henrique2022-05-01T04:26:39Z2022-05-01T04:26:39Z2017-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bookPart91-101http://dx.doi.org/10.1021/bk-2017-1258.ch007ACS Symposium Series, v. 1258, p. 91-101.1947-59180097-6156http://hdl.handle.net/11449/23314310.1021/bk-2017-1258.ch0072-s2.0-85106863823Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengACS Symposium Seriesinfo:eu-repo/semantics/openAccess2024-04-29T18:17:22Zoai:repositorio.unesp.br:11449/233143Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-04-29T18:17:22Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Solvent Effects on Electronic Circular Dichroism Spectra
title Solvent Effects on Electronic Circular Dichroism Spectra
spellingShingle Solvent Effects on Electronic Circular Dichroism Spectra
De Souza, Aguinaldo Robinson [UNESP]
title_short Solvent Effects on Electronic Circular Dichroism Spectra
title_full Solvent Effects on Electronic Circular Dichroism Spectra
title_fullStr Solvent Effects on Electronic Circular Dichroism Spectra
title_full_unstemmed Solvent Effects on Electronic Circular Dichroism Spectra
title_sort Solvent Effects on Electronic Circular Dichroism Spectra
author De Souza, Aguinaldo Robinson [UNESP]
author_facet De Souza, Aguinaldo Robinson [UNESP]
Ximenes, Valdecir Farias [UNESP]
Morgon, Nelson Henrique
author_role author
author2 Ximenes, Valdecir Farias [UNESP]
Morgon, Nelson Henrique
author2_role author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (UNESP)
Universidade Estadual de Campinas (UNICAMP)
dc.contributor.author.fl_str_mv De Souza, Aguinaldo Robinson [UNESP]
Ximenes, Valdecir Farias [UNESP]
Morgon, Nelson Henrique
description The Electronic Circular Dichroism Spectrum (ECD) is a valuable tool to study the unknown absolute configuration of an optically active molecule. And the comparison between experimental data and theoretical computational calculations has been a successful strategy for this study. However, the ECD spectrum is very sensitive to solvent effects that significantly change the character of the results obtained. This chapter is focused on the study of the solvent effects and their application in both experimental and computational chemistry of ECD of the compound 3,3′-dibromo-1,1′-bi-2-naphthol.
publishDate 2017
dc.date.none.fl_str_mv 2017-01-01
2022-05-01T04:26:39Z
2022-05-01T04:26:39Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/bookPart
format bookPart
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1021/bk-2017-1258.ch007
ACS Symposium Series, v. 1258, p. 91-101.
1947-5918
0097-6156
http://hdl.handle.net/11449/233143
10.1021/bk-2017-1258.ch007
2-s2.0-85106863823
url http://dx.doi.org/10.1021/bk-2017-1258.ch007
http://hdl.handle.net/11449/233143
identifier_str_mv ACS Symposium Series, v. 1258, p. 91-101.
1947-5918
0097-6156
10.1021/bk-2017-1258.ch007
2-s2.0-85106863823
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv ACS Symposium Series
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 91-101
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
_version_ 1799965538104901632

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