Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures

Detalhes bibliográficos
Autor(a) principal: Heisler, Ismael Andre
Data de Publicação: 2006
Outros Autores: Correia, Ricardo Rego Bordalo, Cunha, Silvio Luiz Souza
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFRGS
Texto Completo: http://hdl.handle.net/10183/204970
Resumo: An investigation of the molecular dynamics in pure liquids and in mixtures through the technique of time resolved optical Kerr effect is performed. The samples studied were the mixtures of carbon disulfide (CS2) with benzene (C6H6). The molecular dynamics of the pure liquids is briefly discussed while the main results are obtained for the mixtures. A slow dynamics component is observed for the optical heterodyne detected optical Kerr effect transient decaying exponentially with time constants on picosecond time scale. The fast subpicosend time relaxations are analyzed in terms of the nondiffusive component of the spectral response that is associated with the molecular dynamics. The modifications of the spectrum are quantified, and the explanation of the observed changes is given in terms of the structural interaction configurations that produced changes in the intermolecular potential within which the molecules execute librational motions.
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spelling Heisler, Ismael AndreCorreia, Ricardo Rego BordaloCunha, Silvio Luiz Souza2020-01-28T04:11:05Z20060021-9606http://hdl.handle.net/10183/204970000575801An investigation of the molecular dynamics in pure liquids and in mixtures through the technique of time resolved optical Kerr effect is performed. The samples studied were the mixtures of carbon disulfide (CS2) with benzene (C6H6). The molecular dynamics of the pure liquids is briefly discussed while the main results are obtained for the mixtures. A slow dynamics component is observed for the optical heterodyne detected optical Kerr effect transient decaying exponentially with time constants on picosecond time scale. The fast subpicosend time relaxations are analyzed in terms of the nondiffusive component of the spectral response that is associated with the molecular dynamics. The modifications of the spectrum are quantified, and the explanation of the observed changes is given in terms of the structural interaction configurations that produced changes in the intermolecular potential within which the molecules execute librational motions.application/pdfengThe journal of chemical physics. New York. Vol. 125, no. 18 (Nov. 2006), 184503, 7 p.Efeito kerr oticoDinâmica molecularMolecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixturesEstrangeiroinfo:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da UFRGSinstname:Universidade Federal do Rio Grande do Sul (UFRGS)instacron:UFRGSTEXT000575801.pdf.txt000575801.pdf.txtExtracted Texttext/plain32104http://www.lume.ufrgs.br/bitstream/10183/204970/2/000575801.pdf.txte4c55dc51b96f737b54a90ae1b87c187MD52ORIGINAL000575801.pdfTexto completo (inglês)application/pdf623728http://www.lume.ufrgs.br/bitstream/10183/204970/1/000575801.pdfd2ed2fac53bfc0dfc7ce4b3c80e031aaMD5110183/2049702023-08-04 03:31:50.002901oai:www.lume.ufrgs.br:10183/204970Repositório de PublicaçõesPUBhttps://lume.ufrgs.br/oai/requestopendoar:2023-08-04T06:31:50Repositório Institucional da UFRGS - Universidade Federal do Rio Grande do Sul (UFRGS)false
dc.title.pt_BR.fl_str_mv Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
title Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
spellingShingle Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
Heisler, Ismael Andre
Efeito kerr otico
Dinâmica molecular
title_short Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
title_full Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
title_fullStr Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
title_full_unstemmed Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
title_sort Molecular dynamics investigation with the time resolved optical Kerr effect on the CS2–C6H6 mixtures
author Heisler, Ismael Andre
author_facet Heisler, Ismael Andre
Correia, Ricardo Rego Bordalo
Cunha, Silvio Luiz Souza
author_role author
author2 Correia, Ricardo Rego Bordalo
Cunha, Silvio Luiz Souza
author2_role author
author
dc.contributor.author.fl_str_mv Heisler, Ismael Andre
Correia, Ricardo Rego Bordalo
Cunha, Silvio Luiz Souza
dc.subject.por.fl_str_mv Efeito kerr otico
Dinâmica molecular
topic Efeito kerr otico
Dinâmica molecular
description An investigation of the molecular dynamics in pure liquids and in mixtures through the technique of time resolved optical Kerr effect is performed. The samples studied were the mixtures of carbon disulfide (CS2) with benzene (C6H6). The molecular dynamics of the pure liquids is briefly discussed while the main results are obtained for the mixtures. A slow dynamics component is observed for the optical heterodyne detected optical Kerr effect transient decaying exponentially with time constants on picosecond time scale. The fast subpicosend time relaxations are analyzed in terms of the nondiffusive component of the spectral response that is associated with the molecular dynamics. The modifications of the spectrum are quantified, and the explanation of the observed changes is given in terms of the structural interaction configurations that produced changes in the intermolecular potential within which the molecules execute librational motions.
publishDate 2006
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dc.relation.ispartof.pt_BR.fl_str_mv The journal of chemical physics. New York. Vol. 125, no. 18 (Nov. 2006), 184503, 7 p.
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