Solvent Effects on Electronic Circular Dichroism Spectra

Detalhes bibliográficos
Autor(a) principal: Souza, Aguinaldo Robinson de [UNESP]
Data de Publicação: 2017
Outros Autores: Ximenes, Valdecir Farias [UNESP], Morgon, Nelson Henrique, Cheng, H. N., Maryanoff, C. A., Miller, B. D., Schmidt, D. G.
Tipo de documento: Artigo de conferência
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://hdl.handle.net/11449/163623
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.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)GridUNESPSao Paulo State Univ, Dept Chem, BR-17033360 Sao Paulo, BrazilUniv Estadual Campinas, Inst Chem, BR-13083970 Campinas, SP, BrazilSao Paulo State Univ, Dept Chem, BR-17033360 Sao Paulo, BrazilFAPESP: 2015/22338-9FAPESP: 2016/20549-5Amer Chemical SocUniversidade Estadual Paulista (Unesp)Universidade Estadual de Campinas (UNICAMP)Souza, Aguinaldo Robinson de [UNESP]Ximenes, Valdecir Farias [UNESP]Morgon, Nelson HenriqueCheng, H. N.Maryanoff, C. A.Miller, B. D.Schmidt, D. G.2018-11-26T17:42:47Z2018-11-26T17:42:47Z2017-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/conferenceObject91-101Stereochemistry And Global Connectivity: The Legacy Of Ernest L Eliel, Vol 2. Washington: Amer Chemical Soc, v. 1258, p. 91-101, 2017.0097-6156http://hdl.handle.net/11449/163623WOS:000417769100007Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengStereochemistry And Global Connectivity: The Legacy Of Ernest L Eliel, Vol 20,189info:eu-repo/semantics/openAccess2024-04-29T18:17:23Zoai:repositorio.unesp.br:11449/163623Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-04-29T18:17:23Repositório 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
Souza, Aguinaldo Robinson de [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 Souza, Aguinaldo Robinson de [UNESP]
author_facet Souza, Aguinaldo Robinson de [UNESP]
Ximenes, Valdecir Farias [UNESP]
Morgon, Nelson Henrique
Cheng, H. N.
Maryanoff, C. A.
Miller, B. D.
Schmidt, D. G.
author_role author
author2 Ximenes, Valdecir Farias [UNESP]
Morgon, Nelson Henrique
Cheng, H. N.
Maryanoff, C. A.
Miller, B. D.
Schmidt, D. G.
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (Unesp)
Universidade Estadual de Campinas (UNICAMP)
dc.contributor.author.fl_str_mv Souza, Aguinaldo Robinson de [UNESP]
Ximenes, Valdecir Farias [UNESP]
Morgon, Nelson Henrique
Cheng, H. N.
Maryanoff, C. A.
Miller, B. D.
Schmidt, D. G.
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
2018-11-26T17:42:47Z
2018-11-26T17:42:47Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/conferenceObject
format conferenceObject
status_str publishedVersion
dc.identifier.uri.fl_str_mv Stereochemistry And Global Connectivity: The Legacy Of Ernest L Eliel, Vol 2. Washington: Amer Chemical Soc, v. 1258, p. 91-101, 2017.
0097-6156
http://hdl.handle.net/11449/163623
WOS:000417769100007
identifier_str_mv Stereochemistry And Global Connectivity: The Legacy Of Ernest L Eliel, Vol 2. Washington: Amer Chemical Soc, v. 1258, p. 91-101, 2017.
0097-6156
WOS:000417769100007
url http://hdl.handle.net/11449/163623
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Stereochemistry And Global Connectivity: The Legacy Of Ernest L Eliel, Vol 2
0,189
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.publisher.none.fl_str_mv Amer Chemical Soc
publisher.none.fl_str_mv Amer Chemical Soc
dc.source.none.fl_str_mv Web of Science
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
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