First molecular electronic hyperpolarizability of two oxazoles dyes in solution
Two π-conjugated oxazoles compounds dissolved in toluene were characterized by the hyper-Rayleigh scattering technique in order to determine the value of the first molecular hyperpolarizability (βHRS). Quantum-chemical calculations using time-dependent density functional theory level were performed...
- Autores:
-
Abegão G., Luis M
Fonseca, Ruben D.
Santos, Francisco A.
Piguel, Sandrine
Rodrigues, José Joatan
Mendonça Renato, Cleber
Kamada, Kenji
De Boni, Leonardo
- Tipo de recurso:
- Article of journal
- Fecha de publicación:
- 2018
- Institución:
- Corporación Universidad de la Costa
- Repositorio:
- REDICUC - Repositorio CUC
- Idioma:
- eng
- OAI Identifier:
- oai:repositorio.cuc.edu.co:11323/3323
- Acceso en línea:
- https://hdl.handle.net/11323/3323
https://repositorio.cuc.edu.co/
- Palabra clave:
- Photonics
Quantum chemistry
Fotónica
Química Cuántica
- Rights
- openAccess
- License
- Attribution-NonCommercial-ShareAlike 4.0 International
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| dc.title.spa.fl_str_mv |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| dc.title.translated.spa.fl_str_mv |
Primera hiperpolarizabilidad electrónica molecular de dos tintes de oxazoles en solución. |
| title |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| spellingShingle |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution Photonics Quantum chemistry Fotónica Química Cuántica |
| title_short |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| title_full |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| title_fullStr |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| title_full_unstemmed |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| title_sort |
First molecular electronic hyperpolarizability of two oxazoles dyes in solution |
| dc.creator.fl_str_mv |
Abegão G., Luis M Fonseca, Ruben D. Santos, Francisco A. Piguel, Sandrine Rodrigues, José Joatan Mendonça Renato, Cleber Kamada, Kenji De Boni, Leonardo |
| dc.contributor.author.spa.fl_str_mv |
Abegão G., Luis M Fonseca, Ruben D. Santos, Francisco A. Piguel, Sandrine Rodrigues, José Joatan Mendonça Renato, Cleber Kamada, Kenji De Boni, Leonardo |
| dc.subject.spa.fl_str_mv |
Photonics Quantum chemistry Fotónica Química Cuántica |
| topic |
Photonics Quantum chemistry Fotónica Química Cuántica |
| description |
Two π-conjugated oxazoles compounds dissolved in toluene were characterized by the hyper-Rayleigh scattering technique in order to determine the value of the first molecular hyperpolarizability (βHRS). Quantum-chemical calculations using time-dependent density functional theory level were performed to calculate the static and dynamic βHRS theoretical values. Experimental βHRS have shown values of about 42 × 10 −30 cm 4 statvolt −1 and 31 × 10 −30 cm 4 statvolt −1 for both organic compounds, which are in a satisfactory accordance with the calculated results. |
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2018 |
| dc.date.issued.none.fl_str_mv |
2018-05-10 |
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2019-05-14T13:23:47Z |
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2019-05-14T13:23:47Z |
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Artículo de revista |
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http://purl.org/coar/resource_type/c_2df8fbb1 |
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http://purl.org/coar/resource_type/c_6501 |
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978-194358049-1 |
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https://hdl.handle.net/11323/3323 |
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Corporación Universidad de la Costa |
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REDICUC - Repositorio CUC |
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https://repositorio.cuc.edu.co/ |
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978-194358049-1 Corporación Universidad de la Costa REDICUC - Repositorio CUC |
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https://hdl.handle.net/11323/3323 https://repositorio.cuc.edu.co/ |
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eng |
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eng |
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Attribution-NonCommercial-ShareAlike 4.0 International |
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http://creativecommons.org/licenses/by-nc-sa/4.0/ |
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openAccess |
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Universidad de la Costa |
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Corporación Universidad de la Costa |
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Abegão G., Luis MFonseca, Ruben D.Santos, Francisco A.Piguel, SandrineRodrigues, José JoatanMendonça Renato, CleberKamada, KenjiDe Boni, Leonardo2019-05-14T13:23:47Z2019-05-14T13:23:47Z2018-05-10978-194358049-1https://hdl.handle.net/11323/3323Corporación Universidad de la CostaREDICUC - Repositorio CUChttps://repositorio.cuc.edu.co/Two π-conjugated oxazoles compounds dissolved in toluene were characterized by the hyper-Rayleigh scattering technique in order to determine the value of the first molecular hyperpolarizability (βHRS). Quantum-chemical calculations using time-dependent density functional theory level were performed to calculate the static and dynamic βHRS theoretical values. Experimental βHRS have shown values of about 42 × 10 −30 cm 4 statvolt −1 and 31 × 10 −30 cm 4 statvolt −1 for both organic compounds, which are in a satisfactory accordance with the calculated results.Dos compuestos oxazoles conjugados con π disueltos en tolueno se caracterizaron por la técnica de dispersión Hyper-Rayleigh para determinar el valor de la primera hiperpolarizabilidad molecular (βHRS). Para calcular los valores teóricos estáticos y dinámicos de βHRS se realizaron cálculos cuántico-químicos utilizando el nivel de teoría funcional de la densidad dependiente del tiempo. Los βHRS experimentales han mostrado valores de aproximadamente 42 × 10 −30 cm 4 statvolt −1 y 31 × 10 −30 cm 4 statvolt −1 para ambos compuestos orgánicos, que están en una conformidad satisfactoria con los resultados calculados.Abegão G., Luis M-63aeba4c-3e7e-4714-acea-acf7844c05ad-0Fonseca, Ruben D.-145a71ed-03e7-4acf-a8cc-366d4a4806be-0Santos, Francisco A.-fb0c176f-51c7-459f-99dd-bfa3d80cb0d4-0Piguel, Sandrine-59732814-9b53-45cc-bccd-8c5d328a7985-0Rodrigues, José Joatan-eedd2189-238f-4bfe-9278-aafcbd027116-0Mendonça Renato, Cleber-c1dcfe0e-c894-41c8-99fb-ed08aa0a7c3a-0Kamada, Kenji-54573f45-00f4-417b-bcb7-e550e2d02ada-0De Boni, Leonardo-1512485b-5ae7-41bb-ad93-884ec1267e98-0engUniversidad de la CostaAttribution-NonCommercial-ShareAlike 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-sa/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2PhotonicsQuantum chemistryFotónicaQuímica CuánticaFirst molecular electronic hyperpolarizability of two oxazoles dyes in solutionPrimera hiperpolarizabilidad electrónica molecular de dos tintes de oxazoles en solución.Artículo de revistahttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1Textinfo:eu-repo/semantics/articlehttp://purl.org/redcol/resource_type/ARTinfo:eu-repo/semantics/acceptedVersionPublicationORIGINALFIRST MOLECULAR ELECTRONIC HYPERPOLARIZABILITY OF TWO OXAZOLES DYES IN SOLUTION.pdfFIRST MOLECULAR ELECTRONIC HYPERPOLARIZABILITY OF TWO OXAZOLES DYES IN SOLUTION.pdfapplication/pdf107211https://repositorio.cuc.edu.co/bitstreams/81f68700-03d1-48c3-8779-3678f956aefd/download1bd4986e680ddce9a500c5e96470024cMD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; 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