Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin

Detalhes bibliográficos
Autor(a) principal: Oliveira, Luiz F. C. de
Data de Publicação: 1997
Outros Autores: Dantas, Sócrates O., Velozo, Eudes da Silva, Santos, Paulo S., Ribeiro, Mauro C. C.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/8282
Resumo: Texto completo: acesso restrito. p.101–107
id UFBA-2_99e541190bbfbbb3e6eb07c0be973e6d
oai_identifier_str oai:repositorio.ufba.br:ri/8282
network_acronym_str UFBA-2
network_name_str Repositório Institucional da UFBA
repository_id_str 1932
spelling Oliveira, Luiz F. C. deDantas, Sócrates O.Velozo, Eudes da SilvaSantos, Paulo S.Ribeiro, Mauro C. C.Oliveira, Luiz F. C. deDantas, Sócrates O.Velozo, Eudes da SilvaSantos, Paulo S.Ribeiro, Mauro C. C.2013-01-31T12:36:20Z19970022-2860http://www.repositorio.ufba.br/ri/handle/ri/8282v. 435, n. 2Texto completo: acesso restrito. p.101–107A detailed resonance Raman investigation of the natural carotenoid bixin (6,6′-diapo-ψ-ψ′-carotenedioic acid monomethyl ester) was undertaken in chloroform solution. The excitation profiles of four fundamentals, one overtone and one combination band were obtained and calculated by the transform method within the standard assumptions. A simple model of displaced harmonic oscillators reproduced the profiles satisfactorily, in contrast to the more elaborate models previously used in the case of 1,3,5-hexatriene. In addition, the time-dependent formalism was used to reproduce the optical absorption spectrum of bixin, and together with the transform method, to calculate the displacement parameters. Use was made of semi-empirical calculations via MOPAC6 and ZINDO to gain further insight into the bond length variations in the excited electronic state.Submitted by Suelen Reis (suelen_suzane@hotmail.com) on 2013-01-31T12:36:20Z No. of bitstreams: 1 Oliveira.pdf: 765454 bytes, checksum: 27a8e06c85343778f3cb78ef5e2b366a (MD5)Made available in DSpace on 2013-01-31T12:36:20Z (GMT). No. of bitstreams: 1 Oliveira.pdf: 765454 bytes, checksum: 27a8e06c85343778f3cb78ef5e2b366a (MD5) Previous issue date: 1997http://dx.doi.org/10.1016/S0022-2860(97)00173-7reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBACarotenoidResonance Raman effectSemi-empirical calculationsTransform methodTime dependent formalismResonance Raman investigation and semi-empirical calculation of the natural carotenoid bixinJournal of Molecular Structureinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01enginfo:eu-repo/semantics/openAccessORIGINALOliveira.pdfOliveira.pdfapplication/pdf765454https://repositorio.ufba.br/bitstream/ri/8282/1/Oliveira.pdf27a8e06c85343778f3cb78ef5e2b366aMD51LICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/8282/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52TEXTOliveira.pdf.txtOliveira.pdf.txtExtracted texttext/plain20191https://repositorio.ufba.br/bitstream/ri/8282/3/Oliveira.pdf.txt8d5219afd94b61cce5c600d75c0caf03MD53ri/82822022-07-05 14:03:02.555oai:repositorio.ufba.br:ri/8282VGVybW8gZGUgTGljZW7vv71hLCBu77+9byBleGNsdXNpdm8sIHBhcmEgbyBkZXDvv71zaXRvIG5vIHJlcG9zaXTvv71yaW8gSW5zdGl0dWNpb25hbCBkYSBVRkJBCgogICAgUGVsbyBwcm9jZXNzbyBkZSBzdWJtaXNz77+9byBkZSBkb2N1bWVudG9zLCBvIGF1dG9yIG91IHNldQpyZXByZXNlbnRhbnRlIGxlZ2FsLCBhbyBhY2VpdGFyIGVzc2UgdGVybW8gZGUgbGljZW7vv71hLCBjb25jZWRlIGFvClJlcG9zaXTvv71yaW8gSW5zdGl0dWNpb25hbCBkYSBVbml2ZXJzaWRhZGUgRmVkZXJhbCBkYSBCYWhpYSBvIGRpcmVpdG8KZGUgbWFudGVyIHVtYSBj77+9cGlhIGVtIHNldSByZXBvc2l077+9cmlvIGNvbSBhIGZpbmFsaWRhZGUsIHByaW1laXJhLCAKZGUgcHJlc2VydmHvv73vv71vLiBFc3NlcyB0ZXJtb3MsIG7vv71vIGV4Y2x1c2l2b3MsIG1hbnTvv71tIG9zIGRpcmVpdG9zIGRlIAphdXRvci9jb3B5cmlnaHQsIG1hcyBlbnRlbmRlIG8gZG9jdW1lbnRvIGNvbW8gcGFydGUgZG8gYWNlcnZvIGludGVsZWN0dWFsIGRlc3NhIFVuaXZlcnNpZGFkZS4gCgogICAgUGFyYSBvcyBkb2N1bWVudG9zIHB1YmxpY2Fkb3MgY29tIHJlcGFzc2UgZGUgZGlyZWl0b3MgZGUgZGlzdHJpYnVp77+977+9bywgZXNzZSB0ZXJtbyBkZSBsaWNlbu+/vWEgZW50ZW5kZSBxdWU6IAoKICAgIE1hbnRlbmRvIG9zICBkaXJlaXRvcyBhdXRvcmFpcywgcmVwYXNzYWRvcyBhIHRlcmNlaXJvcywgZW0gY2FzbyAKZGUgcHVibGljYe+/ve+/vWVzLCBvIHJlcG9zaXTvv71yaW8gcG9kZSByZXN0cmluZ2lyIG8gYWNlc3NvIGFvIHRleHRvIAppbnRlZ3JhbCwgbWFzIGxpYmVyYSBhcyBpbmZvcm1h77+977+9ZXMgc29icmUgbyBkb2N1bWVudG8gKE1ldGFkYWRvcyBkZXNjcml0aXZvcykuCgogRGVzdGEgZm9ybWEsIGF0ZW5kZW5kbyBhb3MgYW5zZWlvcyBkZXNzYSB1bml2ZXJzaWRhZGUgCmVtIG1hbnRlciBzdWEgcHJvZHXvv73vv71vIGNpZW5077+9ZmljYSBjb20gYXMgcmVzdHJp77+977+9ZXMgaW1wb3N0YXMgcGVsb3MgCmVkaXRvcmVzIGRlIHBlcmnvv71kaWNvcy4gCgogICAgUGFyYSBhcyBwdWJsaWNh77+977+9ZXMgZW0gaW5pY2lhdGl2YXMgcXVlIHNlZ3VlbSBhIHBvbO+/vXRpY2EgZGUgCkFjZXNzbyBBYmVydG8sIG9zIGRlcO+/vXNpdG9zIGNvbXB1bHPvv71yaW9zIG5lc3NlIHJlcG9zaXTvv71yaW8gbWFudO+/vW0gCm9zIGRpcmVpdG9zIGF1dG9yYWlzLCBtYXMgbWFudO+/vW0gbyBhY2Vzc28gaXJyZXN0cml0byBhbyBtZXRhZGFkb3MgCmUgdGV4dG8gY29tcGxldG8uIEFzc2ltLCBhIGFjZWl0Ye+/ve+/vW8gZGVzc2UgdGVybW8gbu+/vW8gbmVjZXNzaXRhIGRlIApjb25zZW50aW1lbnRvIHBvciBwYXJ0ZSBkZSBhdXRvcmVzL2RldGVudG9yZXMgZG9zIGRpcmVpdG9zLCBwb3IgCmVzdGFyZW0gZW0gaW5pY2lhdGl2YXMgZGUgYWNlc3NvIGFiZXJ0by4KCiAgICBFbSBhbWJvcyBvIGNhc28sIGVzc2UgdGVybW8gZGUgbGljZW7vv71hLCBwb2RlIHNlciBhY2VpdG8gcGVsbyAKYXV0b3IsIGRldGVudG9yZXMgZGUgZGlyZWl0b3MgZS9vdSB0ZXJjZWlyb3MgYW1wYXJhZG9zIHBlbGEgCnVuaXZlcnNpZGFkZS4gRGV2aWRvIGFvcyBkaWZlcmVudGVzIHByb2Nlc3NvcyBwZWxvIHF1YWwgYSBzdWJtaXNz77+9byAKcG9kZSBvY29ycmVyLCBvIHJlcG9zaXTvv71yaW8gcGVybWl0ZSBhIGFjZWl0Ye+/ve+/vW8gZGEgbGljZW7vv71hIHBvciAKdGVyY2Vpcm9zLCBzb21lbnRlIG5vcyBjYXNvcyBkZSBkb2N1bWVudG9zIHByb2R1emlkb3MgcG9yIGludGVncmFudGVzIApkYSBVRkJBIGUgc3VibWV0aWRvcyBwb3IgcGVzc29hcyBhbXBhcmFkYXMgcG9yIGVzdGEgaW5zdGl0dWnvv73vv71vLgo=Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:02Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
dc.title.alternative.pt_BR.fl_str_mv Journal of Molecular Structure
title Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
spellingShingle Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
Oliveira, Luiz F. C. de
Carotenoid
Resonance Raman effect
Semi-empirical calculations
Transform method
Time dependent formalism
title_short Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
title_full Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
title_fullStr Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
title_full_unstemmed Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
title_sort Resonance Raman investigation and semi-empirical calculation of the natural carotenoid bixin
author Oliveira, Luiz F. C. de
author_facet Oliveira, Luiz F. C. de
Dantas, Sócrates O.
Velozo, Eudes da Silva
Santos, Paulo S.
Ribeiro, Mauro C. C.
author_role author
author2 Dantas, Sócrates O.
Velozo, Eudes da Silva
Santos, Paulo S.
Ribeiro, Mauro C. C.
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Oliveira, Luiz F. C. de
Dantas, Sócrates O.
Velozo, Eudes da Silva
Santos, Paulo S.
Ribeiro, Mauro C. C.
Oliveira, Luiz F. C. de
Dantas, Sócrates O.
Velozo, Eudes da Silva
Santos, Paulo S.
Ribeiro, Mauro C. C.
dc.subject.por.fl_str_mv Carotenoid
Resonance Raman effect
Semi-empirical calculations
Transform method
Time dependent formalism
topic Carotenoid
Resonance Raman effect
Semi-empirical calculations
Transform method
Time dependent formalism
description Texto completo: acesso restrito. p.101–107
publishDate 1997
dc.date.issued.fl_str_mv 1997
dc.date.accessioned.fl_str_mv 2013-01-31T12:36:20Z
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/8282
dc.identifier.issn.none.fl_str_mv 0022-2860
dc.identifier.number.pt_BR.fl_str_mv v. 435, n. 2
identifier_str_mv 0022-2860
v. 435, n. 2
url http://www.repositorio.ufba.br/ri/handle/ri/8282
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.pt_BR.fl_str_mv http://dx.doi.org/10.1016/S0022-2860(97)00173-7
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
instname:Universidade Federal da Bahia (UFBA)
instacron:UFBA
instname_str Universidade Federal da Bahia (UFBA)
instacron_str UFBA
institution UFBA
reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
bitstream.url.fl_str_mv https://repositorio.ufba.br/bitstream/ri/8282/1/Oliveira.pdf
https://repositorio.ufba.br/bitstream/ri/8282/2/license.txt
https://repositorio.ufba.br/bitstream/ri/8282/3/Oliveira.pdf.txt
bitstream.checksum.fl_str_mv 27a8e06c85343778f3cb78ef5e2b366a
1b89a9a0548218172d7c829f87a0eab9
8d5219afd94b61cce5c600d75c0caf03
bitstream.checksumAlgorithm.fl_str_mv MD5
MD5
MD5
repository.name.fl_str_mv Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)
repository.mail.fl_str_mv
_version_ 1808459419066826752

Registros relacionados