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| Registros recuperados : 11 | |
| 1. |  | HIGUERA-PADILLA, A.R.; BATISTA, A. A.; COLNAGO, L. A. Reação de transferência de hidrogênio catalisada por complexos de rutênio In: JORNADA CIENTÍFICA - EMBRAPA SÃO CARLOS, 8., 2016, São Carlos, SP. Anais... São Carlos: Embrapa Instrumentação: Embrapa Pecuária Sudeste, 2016. p.50. Editores técnicos: Wilson Tadeu Lopes da Silva, José Manoel Marconcini, Maria Alice Martins, Lucimara Aparecida Forato, Paulino Ribeiro Villas Boas. (Embrapa Instrumentação. Documentos, 61).| Biblioteca(s): Embrapa Instrumentação. |
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| 4. | | KOCK, F. V. C.; HIGUERA-PADILLA, A. R.; VIGATTO, M. S. S.; MARTIN NETO, L.; COLNAGO, L. A. Magnetic resonance studies of copper (II) sorbitol complex, in solution, reveal a supramolecular structure compatible to the crystal structure. Magnetic Resonance in Chemistry, v. 57, n. 7, 2019. 404-411| Biblioteca(s): Embrapa Instrumentação. |
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| 5. | | GÓMEZ, J. F. M.; CÔNSOLO, N. R. B.; ANTONELO, D. S.; BELINE, M.; GAGAOUA, M.; HIGUERA-PADILLA, A.; COLNAGO, L. A.; GERRARD, D. E.; SILVA, S. L. Impact of cattle feeding strategy on the beef metabolome. Metabolites, v. 12, 640, 2022. 14 p.| Biblioteca(s): Embrapa Instrumentação. |
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| 6. | | CÔNSOLO, N. R. B.; ROSA, A. F.; BARBOSA, L. C. G. S.; MACLEAN, P. H.; HIGUERA-PADILLA, A.; COLNAGO, L. A.; TITTO, E. A. L. Preliminary study on the characterization of Longissimus lumborum dark cutting meat in Angus × Nellore crossbreed cattle using NMR-based metabolomics. Meat Science, v. 172, 108350, 2021.| Biblioteca(s): Embrapa Instrumentação. |
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| 7. | | SILVEIRA, R. G. da; HIGUERA-PADILLA, A. R.; CUNHA, B. N. da; ARAÚJO-NETO, J. H. de; CATÃO, A. J. L.; COLNAGO, L. A.; CASTELLANO, E. E.; BATISTA, A. A. Synthesis, structure determination and catalytic activity of a novel Ruthenium(II) [RuCl(dppb)(44bipy)(4-pic)]PF6 complex. Journal of the Brazilian Chemical Society, v. 32, n. 9 2021 1802 - 1818| Biblioteca(s): Embrapa Instrumentação. |
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| 8. | | CÔNSOLO, N. R. B.; SILVA, J.; BUARQUE, V. L. M.; HIGUERA-PADILLA, A.; BARBOSA, L. C. G. S.; ZAWADZKI, A.; COLNAGO, L. A.; SARAN NETTO, A.; GERRARD, D. E.; SILVA, S. L. Selection for growth and precocity alters muscle metabolism in Nellore Cattle. Metabolites, v. 10, n. 58, 2020. 1 - 12| Biblioteca(s): Embrapa Instrumentação. |
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| 9. | | CÔNSOLO, N. R. B.; BUARQUE, V. L. M.; SILVA, J.; POLETI, M. D.; BARBOSA, L. C. G. S.; HIGUERA-PADILLA, A.; GOMEZ, J. F. M.; COLNAGO, L. A.; GERRARD, D. E.; SARAN NETO, A.; SILVA, S. L. Muscle and liver metabolomic signatures associated with residual feed intake in Nellore cattle. Animal Feed Science and Technology, v. 271, 114757, 2021.| Biblioteca(s): Embrapa Instrumentação. |
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| 10. | | CÔNSOLO, N. R. B.; SAMUELSSON, L. M.; BARBOSA, L. C. G. S.; MONARETTO, T.; MORAES, T. B.; BUARQUE, V. L. M.; HIGUERA-PADILLA, A. R.; COLNAGO, L. A.; SILVA, S. L.; REIS, M. M.; FONSECA, A. C.; ARAÚJO, C. S. S.; LEITE, B. G. S.; ROQUE, F. A.; ARAÚJO, L. F. Characterization of chicken muscle disorders through metabolomics, pathway analysis, and water relaxometry: a pilot study. Poultry Science, v. 99, n. 11, 2020. 6247-6257| Biblioteca(s): Embrapa Instrumentação. |
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| 11. | | CÔNSOLO, N. R. B.; SILVA, J.; BUARQUE, V. L. M.; SAMUELSSON, L. M.; MILLER, P.; MACLEAN, P. H.; MORAES, T. B.; BARBOSA, L. C. G. S.; HIGUERA-PADILLA, A.; COLNAGO, L. A.; SARAN NETTO, A.; GERRARD, D. E.; SILVA, S. L. Using TD-NMR relaxometry and 1D 1 H NMR spectroscopy to evaluate aging of Nellore beef. Meat Science, v. 181, a. 108606, 2021. 1-10| Biblioteca(s): Embrapa Instrumentação. |
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| Registros recuperados : 11 | |
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 | Acesso ao texto completo restrito à biblioteca da Embrapa Instrumentação. Para informações adicionais entre em contato com cnpdia.biblioteca@embrapa.br. |
Registro Completo
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Biblioteca(s): |
Embrapa Instrumentação. |
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Data corrente: |
29/06/2021 |
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Data da última atualização: |
10/06/2022 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Circulação/Nível: |
A - 2 |
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Autoria: |
SILVEIRA, R. G. da; HIGUERA-PADILLA, A. R.; CUNHA, B. N. da; ARAÚJO-NETO, J. H. de; CATÃO, A. J. L.; COLNAGO, L. A.; CASTELLANO, E. E.; BATISTA, A. A. |
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Afiliação: |
LUIZ ALBERTO COLNAGO, CNPDIA. |
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Título: |
Synthesis, structure determination and catalytic activity of a novel Ruthenium(II) [RuCl(dppb)(44bipy)(4-pic)]PF6 complex. |
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Ano de publicação: |
2021 |
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Fonte/Imprenta: |
Journal of the Brazilian Chemical Society, v. 32, n. 9 2021 |
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Páginas: |
1802 - 1818 |
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DOI: |
https://dx.doi.org/10.21577/0103-5053.20210071 |
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Idioma: |
Inglês |
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Conteúdo: |
This work reports the synthesis, structure and catalytic activity of a novel ruthenium(II) complex, [RuCl(dppb)(44bipy)(4-pic)]PF6 (where dppb = 1,4-bis(diphenylphosphine)butane; 44bipy = 4,4’-dimethyl-2,2’-dipyridyl; 4-pic = 4-picoline). The molecular structure and catalytic activity were studied by Fourier transform infrared (FTIR), UV-Vis and nuclear magnetic resonance (NMR) spectroscopies, cyclic voltammetry, and X-ray crystallography, while the electronic structure was investigated by density-functional theory (DFT) and time dependent DFT (TD-DFT) methods. Electrochemical studies showed the substitution of the chlorido ligand from the precursor by the 4-pic ligand, exhibiting the RuII/RuIII process at 1.21 V. The structure of the compound was optimized using DFT simulations and showed data similar to the X-ray structure. The UV-Vis absorption spectrum showed a good agreement with TD-DFT simulations. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies were determined at the Becke, 3-parameter, Lee-Yang-Parr (B3LYP) level. The study of the catalytic activity in the transfer hydrogenation of ketones by the 1 H NMR showed efficient transfer hydrogenation reaction at 60 ºC, employing acetophenone as substrate and resulting in a high conversion. The formation of two ruthenium-hydride species was observed. |
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Palavras-Chave: |
DFT calculations; Hydrogenation transfer catalysis; NMR monitoring; Ruthenium complex. |
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Categoria do assunto: |
-- |
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Marc: |
LEADER 02299naa a2200277 a 4500
001 2132633
005 2022-06-10
008 2021 bl uuuu u00u1 u #d
024 7 $ahttps://dx.doi.org/10.21577/0103-5053.20210071$2DOI
100 1 $aSILVEIRA, R. G. da
245 $aSynthesis, structure determination and catalytic activity of a novel Ruthenium(II) [RuCl(dppb)(44bipy)(4-pic)]PF6 complex.$h[electronic resource]
260 $c2021
300 $a1802 - 1818
520 $aThis work reports the synthesis, structure and catalytic activity of a novel ruthenium(II) complex, [RuCl(dppb)(44bipy)(4-pic)]PF6 (where dppb = 1,4-bis(diphenylphosphine)butane; 44bipy = 4,4’-dimethyl-2,2’-dipyridyl; 4-pic = 4-picoline). The molecular structure and catalytic activity were studied by Fourier transform infrared (FTIR), UV-Vis and nuclear magnetic resonance (NMR) spectroscopies, cyclic voltammetry, and X-ray crystallography, while the electronic structure was investigated by density-functional theory (DFT) and time dependent DFT (TD-DFT) methods. Electrochemical studies showed the substitution of the chlorido ligand from the precursor by the 4-pic ligand, exhibiting the RuII/RuIII process at 1.21 V. The structure of the compound was optimized using DFT simulations and showed data similar to the X-ray structure. The UV-Vis absorption spectrum showed a good agreement with TD-DFT simulations. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies were determined at the Becke, 3-parameter, Lee-Yang-Parr (B3LYP) level. The study of the catalytic activity in the transfer hydrogenation of ketones by the 1 H NMR showed efficient transfer hydrogenation reaction at 60 ºC, employing acetophenone as substrate and resulting in a high conversion. The formation of two ruthenium-hydride species was observed.
653 $aDFT calculations
653 $aHydrogenation transfer catalysis
653 $aNMR monitoring
653 $aRuthenium complex
700 1 $aHIGUERA-PADILLA, A. R.
700 1 $aCUNHA, B. N. da
700 1 $aARAÚJO-NETO, J. H. de
700 1 $aCATÃO, A. J. L.
700 1 $aCOLNAGO, L. A.
700 1 $aCASTELLANO, E. E.
700 1 $aBATISTA, A. A.
773 $tJournal of the Brazilian Chemical Society$gv. 32, n. 9 2021
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