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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. |
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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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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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Registro original: |
Embrapa Instrumentação (CNPDIA) |
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Biblioteca |
ID |
Origem |
Tipo/Formato |
Classificação |
Cutter |
Registro |
Volume |
Status |
URL |
Voltar
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Registro Completo
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Biblioteca(s): |
Embrapa Milho e Sorgo. |
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Data corrente: |
23/11/2010 |
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Data da última atualização: |
29/05/2018 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Circulação/Nível: |
B - 1 |
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Autoria: |
ROCHA, E. A.; PAIVA, L. V.; CARVALHO, H. H. de; GUIMARAES, C. T. |
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Afiliação: |
ELIZANGELA ALMEIDA ROCHA, UFMG; LUCIANO VILELA PAIVA, UFLA; HUMBERTO HENRIQUE DE CARVALHO, UFV; CLAUDIA TEIXEIRA GUIMARAES, CNPMS. |
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Título: |
Molecular characterization and genetic diversity of potato cultivars using SSR and RAPD markers. |
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Ano de publicação: |
2010 |
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Fonte/Imprenta: |
Crop Breeding and Applied Biotechnology, Londrina, v. 10, p. 204-210, 2010. |
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Idioma: |
Inglês |
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Conteúdo: |
This study aimed to evaluate the genetic diversity and identify potato cultivars by RAPD and SSR markers. The genomic DNA of 16 potato cultivars was amplified with 25 RAPD primers that generated 92 polymorphic bands and 20 SSR primer pairs that produced 136 polymorphic bands. The dendrograms generated by cluster analysis distinguished the cultivars genetically although the dendrograms were not correlated in the comparison of the two markers used. The PIC values demonstrated the high information content of the primers used and 16 potato varieties were identified based on six RAPD primers and three SSR primer pairs. Thus, by means of RAPD and SSR markers the genetic diversity was assessed and the 16 commercial potato cultivars analyzed in this study were identified. |
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Palavras-Chave: |
Diversidade genética; Potato. |
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Thesagro: |
Análise; Batata; Marcador molecular; Solanum tuberosum. |
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Categoria do assunto: |
--
G Melhoramento Genético |
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URL: |
https://ainfo.cnptia.embrapa.br/digital/bitstream/item/57682/1/Molecular-characterization-2.pdf
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Marc: |
LEADER 01443naa a2200229 a 4500
001 1871381
005 2018-05-29
008 2010 bl uuuu u00u1 u #d
100 1 $aROCHA, E. A.
245 $aMolecular characterization and genetic diversity of potato cultivars using SSR and RAPD markers.
260 $c2010
520 $aThis study aimed to evaluate the genetic diversity and identify potato cultivars by RAPD and SSR markers. The genomic DNA of 16 potato cultivars was amplified with 25 RAPD primers that generated 92 polymorphic bands and 20 SSR primer pairs that produced 136 polymorphic bands. The dendrograms generated by cluster analysis distinguished the cultivars genetically although the dendrograms were not correlated in the comparison of the two markers used. The PIC values demonstrated the high information content of the primers used and 16 potato varieties were identified based on six RAPD primers and three SSR primer pairs. Thus, by means of RAPD and SSR markers the genetic diversity was assessed and the 16 commercial potato cultivars analyzed in this study were identified.
650 $aAnálise
650 $aBatata
650 $aMarcador molecular
650 $aSolanum tuberosum
653 $aDiversidade genética
653 $aPotato
700 1 $aPAIVA, L. V.
700 1 $aCARVALHO, H. H. de
700 1 $aGUIMARAES, C. T.
773 $tCrop Breeding and Applied Biotechnology, Londrina$gv. 10, p. 204-210, 2010.
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Registro original: |
Embrapa Milho e Sorgo (CNPMS) |
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