Solvent Effects on Electronic Circular Dichroism Spectra
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , |
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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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:29462024-08-05T22:16:33.355069Repositório 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_ |
1808129412377346048 |