Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations

Detalhes bibliográficos
Autor(a) principal: Cunha, Silvio do Desterro
Data de Publicação: 2010
Outros Autores: Santos, Luis Fernandes P., Rocha, Zênis N., Rivelino, Roberto, Ferrari, Jailton, Vencato, Ivo, Lariucci, Carlito
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/3770
Resumo: p. 2108-2112.
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spelling Cunha, Silvio do DesterroSantos, Luis Fernandes P.Rocha, Zênis N.Rivelino, RobertoFerrari, JailtonVencato, IvoLariucci, CarlitoCunha, Silvio do DesterroSantos, Luis Fernandes P.Rocha, Zênis N.Rivelino, RobertoFerrari, JailtonVencato, IvoLariucci, Carlito2011-11-18T13:40:23Z2011-11-18T13:40:23Z20100100-4042http://www.repositorio.ufba.br/ri/handle/ri/3770v. 33, n. 10.p. 2108-2112.This study represents an integrated approach towards understanding the electronic and structural aspects of 2-benzylamino-1,4-naphthalenedione, a representative 2-amino-napfthoquinone. To this end, theoretical calculations performed at the B3PW91/6-31+G(d) level of density functional theory, electrochemical and X-ray structural investigation were employed. Two intramolecular H-bonds and other two intermolecular H-bonds were observed, including non-classical interactions. Cyclic voltammogram (CV) and differential pulse voltammetry (DPV) show two pairs of peaks, being each one a monoelectronic process.Submitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2011-11-18T13:40:23Z No. of bitstreams: 1 20.pdf: 424875 bytes, checksum: 300031a1b92a3ac0622efeb336bd4106 (MD5)Made available in DSpace on 2011-11-18T13:40:23Z (GMT). No. of bitstreams: 1 20.pdf: 424875 bytes, checksum: 300031a1b92a3ac0622efeb336bd4106 (MD5) Previous issue date: 2010São Pauloenaminonestructural studyamino naphthoquinonStructural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculationsQuímica Novainfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleengreponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAinfo:eu-repo/semantics/openAccessORIGINAL20.pdf20.pdfapplication/pdf424875https://repositorio.ufba.br/bitstream/ri/3770/1/20.pdf300031a1b92a3ac0622efeb336bd4106MD51LICENSElicense.txtlicense.txttext/plain1906https://repositorio.ufba.br/bitstream/ri/3770/2/license.txt48cb6ff6341b0f9b41bfc20dd0cec28bMD52TEXT20.pdf.txt20.pdf.txtExtracted texttext/plain22935https://repositorio.ufba.br/bitstream/ri/3770/3/20.pdf.txtc6f290cd75fb0a3a8f6575659d9eb188MD53ri/37702022-07-05 14:03:18.967oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:18Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
dc.title.alternative.pt_BR.fl_str_mv Química Nova
title Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
spellingShingle Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
Cunha, Silvio do Desterro
enaminone
structural study
amino naphthoquinon
title_short Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
title_full Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
title_fullStr Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
title_full_unstemmed Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
title_sort Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations
author Cunha, Silvio do Desterro
author_facet Cunha, Silvio do Desterro
Santos, Luis Fernandes P.
Rocha, Zênis N.
Rivelino, Roberto
Ferrari, Jailton
Vencato, Ivo
Lariucci, Carlito
author_role author
author2 Santos, Luis Fernandes P.
Rocha, Zênis N.
Rivelino, Roberto
Ferrari, Jailton
Vencato, Ivo
Lariucci, Carlito
author2_role author
author
author
author
author
author
dc.contributor.author.fl_str_mv Cunha, Silvio do Desterro
Santos, Luis Fernandes P.
Rocha, Zênis N.
Rivelino, Roberto
Ferrari, Jailton
Vencato, Ivo
Lariucci, Carlito
Cunha, Silvio do Desterro
Santos, Luis Fernandes P.
Rocha, Zênis N.
Rivelino, Roberto
Ferrari, Jailton
Vencato, Ivo
Lariucci, Carlito
dc.subject.por.fl_str_mv enaminone
structural study
amino naphthoquinon
topic enaminone
structural study
amino naphthoquinon
description p. 2108-2112.
publishDate 2010
dc.date.issued.fl_str_mv 2010
dc.date.accessioned.fl_str_mv 2011-11-18T13:40:23Z
dc.date.available.fl_str_mv 2011-11-18T13:40:23Z
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://www.repositorio.ufba.br/ri/handle/ri/3770
dc.identifier.issn.none.fl_str_mv 0100-4042
dc.identifier.number.pt_BR.fl_str_mv v. 33, n. 10.
identifier_str_mv 0100-4042
v. 33, n. 10.
url http://www.repositorio.ufba.br/ri/handle/ri/3770
dc.language.iso.fl_str_mv eng
language eng
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reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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