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Registro Completo |
Biblioteca(s): |
Embrapa Instrumentação. |
Data corrente: |
28/11/2022 |
Data da última atualização: |
22/01/2024 |
Tipo da produção científica: |
Artigo em Periódico Indexado |
Autoria: |
OLIVEIRA, L. R. de; GONÇALVES, D. S.; CAROLINO, A. S.; FACCINATTO, W. M.; MENEZES. D. C.; DIAS, C. O.; COLNAGO, L. A.; RUIZ, Y. L.; IU, S. T.; FONSECA FILHO, H. D.; CHAUDHURI, P.; CAMPELO, P. H.; MASCARENHAS, I. P.; SANCHES, E. A. |
Afiliação: |
LUIZ ALBERTO COLNAGO, CNPDIA. |
Título: |
Head-to-tail and head-to-head molecular chains of poly(p-anisidine): Combined experimental and theoretical evaluation. |
Ano de publicação: |
2022 |
Fonte/Imprenta: |
Molecules, v. 27, a6326, 2022. |
Páginas: |
28 p. |
DOI: |
https://doi.org/10.3390/molecules27196326 |
Idioma: |
Inglês |
Conteúdo: |
: Poly(p-anisidine) (PPA) is a polyaniline derivative presenting a methoxy (?OCH3) group at the para position of the phenyl ring. Considering the important role of conjugated polymers in novel technological applications, a systematic, combined experimental and theoretical investigation was performed to obtain more insight into the crystallization process of PPA. Conventional oxidative polymerization of p-anisidine monomer was based on a central composite rotational design (CCRD).The effects of the concentration of the monomer, ammonium persulfate (APS), and HCl on the percentage of crystallinity were considered. Several experimental techniques such as X-ray Diffraction(XRD), Scanning Electron Microscopy (SEM), multifractal analysis, Nuclear Magnetic Resonance(13C NMR), Fourier-transform Infrared spectroscopy (FTIR), and complex impedance spectroscopyanalysis, in addition to Density Functional Theory (DFT), were employed to perform a systematic investigation of PPA. The experimental treatments resulted in different crystal structures with a percentage of crystallinity ranging from (29.2 ± 0.6)% (PPA1HT) to (55.1 ± 0.2)% (PPA16HT-HH). A broad halo in the PPA16HT-HH pattern from 2θ = 10.0?30.0◦suggested a reduced crystallinity. Needle and globular-particle morphologies were observed in both samples; the needle morphology might have been related to the crystalline contribution. A multifractal analysis showed that the PPA surface became more complex when the crystallinity was reduced. The proposed molecular structures of PPA were supported by the high-resolution 13C NMR results, allowing us to access the percentage of head-to-tail (HT) and head-to-head (HH) molecular structures. When comparing the calculated and experimental FTIR spectra, the most pronounced changes were observed in ν(C?H), ν(N?H), ν(C?O), and ν(C?N?C) due to the influence of counterions on the polymer backbone as well as the different mechanisms of polymerization. Finally, a significant difference in the electrical conductivitywas observed in the range of 1.00 × 10−9 S.cm−1 and 3.90 × 10−14 S.cm−1, respectively, for PPA1HT and PPA16HT-HH. Menos: Poly(p-anisidine) (PPA) is a polyaniline derivative presenting a methoxy (?OCH3) group at the para position of the phenyl ring. Considering the important role of conjugated polymers in novel technological applications, a systematic, combined experimental and theoretical investigation was performed to obtain more insight into the crystallization process of PPA. Conventional oxidative polymerization of p-anisidine monomer was based on a central composite rotational design (CCRD).The effects of the concentration of the monomer, ammonium persulfate (APS), and HCl on the percentage of crystallinity were considered. Several experimental techniques such as X-ray Diffraction(XRD), Scanning Electron Microscopy (SEM), multifractal analysis, Nuclear Magnetic Resonance(13C NMR), Fourier-transform Infrared spectroscopy (FTIR), and complex impedance spectroscopyanalysis, in addition to Density Functional Theory (DFT), were employed to perform a systematic investigation of PPA. The experimental treatments resulted in different crystal structures with a percentage of crystallinity ranging from (29.2 ± 0.6)% (PPA1HT) to (55.1 ± 0.2)% (PPA16HT-HH). A broad halo in the PPA16HT-HH pattern from 2θ = 10.0?30.0◦suggested a reduced crystallinity. Needle and globular-particle morphologies were observed in both samples; the needle morphology might have been related to the crystalline contribution. A multifractal analysis showed that the PPA surface became more complex when the crystallin... Mostrar Tudo |
Palavras-Chave: |
Conjugated polymer; Multifractal analysis; Poly(p-anisidine). |
Categoria do assunto: |
-- |
URL: |
https://ainfo.cnptia.embrapa.br/digital/bitstream/doc/1148841/1/P-Head-to-Tail-and-Head-to-Head-Molecular-Chains-of.pdf
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Marc: |
LEADER 03197naa a2200337 a 4500 001 2148841 005 2024-01-22 008 2022 bl uuuu u00u1 u #d 024 7 $ahttps://doi.org/10.3390/molecules27196326$2DOI 100 1 $aOLIVEIRA, L. R. de 245 $aHead-to-tail and head-to-head molecular chains of poly(p-anisidine)$bCombined experimental and theoretical evaluation.$h[electronic resource] 260 $c2022 300 $a28 p. 520 $a: Poly(p-anisidine) (PPA) is a polyaniline derivative presenting a methoxy (?OCH3) group at the para position of the phenyl ring. Considering the important role of conjugated polymers in novel technological applications, a systematic, combined experimental and theoretical investigation was performed to obtain more insight into the crystallization process of PPA. Conventional oxidative polymerization of p-anisidine monomer was based on a central composite rotational design (CCRD).The effects of the concentration of the monomer, ammonium persulfate (APS), and HCl on the percentage of crystallinity were considered. Several experimental techniques such as X-ray Diffraction(XRD), Scanning Electron Microscopy (SEM), multifractal analysis, Nuclear Magnetic Resonance(13C NMR), Fourier-transform Infrared spectroscopy (FTIR), and complex impedance spectroscopyanalysis, in addition to Density Functional Theory (DFT), were employed to perform a systematic investigation of PPA. The experimental treatments resulted in different crystal structures with a percentage of crystallinity ranging from (29.2 ± 0.6)% (PPA1HT) to (55.1 ± 0.2)% (PPA16HT-HH). A broad halo in the PPA16HT-HH pattern from 2θ = 10.0?30.0◦suggested a reduced crystallinity. Needle and globular-particle morphologies were observed in both samples; the needle morphology might have been related to the crystalline contribution. A multifractal analysis showed that the PPA surface became more complex when the crystallinity was reduced. The proposed molecular structures of PPA were supported by the high-resolution 13C NMR results, allowing us to access the percentage of head-to-tail (HT) and head-to-head (HH) molecular structures. When comparing the calculated and experimental FTIR spectra, the most pronounced changes were observed in ν(C?H), ν(N?H), ν(C?O), and ν(C?N?C) due to the influence of counterions on the polymer backbone as well as the different mechanisms of polymerization. Finally, a significant difference in the electrical conductivitywas observed in the range of 1.00 × 10−9 S.cm−1 and 3.90 × 10−14 S.cm−1, respectively, for PPA1HT and PPA16HT-HH. 653 $aConjugated polymer 653 $aMultifractal analysis 653 $aPoly(p-anisidine) 700 1 $aGONÇALVES, D. S. 700 1 $aCAROLINO, A. S. 700 1 $aFACCINATTO, W. M. 700 1 $aMENEZES. D. C. 700 1 $aDIAS, C. O. 700 1 $aCOLNAGO, L. A. 700 1 $aRUIZ, Y. L. 700 1 $aIU, S. T. 700 1 $aFONSECA FILHO, H. D. 700 1 $aCHAUDHURI, P. 700 1 $aCAMPELO, P. H. 700 1 $aMASCARENHAS, I. P. 700 1 $aSANCHES, E. A. 773 $tMolecules$gv. 27, a6326, 2022.
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2. | | GONÇALVES, D. S.; SANTOS, V. V. B. M.; JORGE, L. A. de C. Geotecnologias para inspeção, gerenciamento e análise da propagação de greening dos citros. In: JORNADA CIENTÍFICA - EMBRAPA SÃO CARLOS, 2., 2010, São Carlos, SP. Anais... São Carlos: Embrapa Instrumentação Agropecuária: Embrapa Pecuária Sudeste, 2010. p. 84. (Embrapa Instrumentação Agropecuária. Documentos, 50).Tipo: Resumo em Anais de Congresso |
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4. | | GONÇALVES, D. S.; FERREIRA, M. D.; JORGE, L. A. de C. Sistema de classificação de batatas para consumo por redes neurais artificiais. In: JORNADA CIENTÍFICA - EMBRAPA SÃO CARLOS, 4., 2012, São Carlos, SP. Anais... São Carlos: Embrapa Instrumentação: Embrapa Pecuária Sudeste, 2012. p. 143. Editores técnicos: João de Mendonça Naime, Lucimara Aparecida Forato, Maria Alice Martins, Ladislau Marcelino Rabello, Rubens Bernardes Filho. (Embrapa Instrumentação. Documentos, 56)Tipo: Artigo em Anais de Congresso |
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5. | | SILVA, D. C. P. da; RIBEIRO, P. P. E.; JORGE, L. A. de C.; PAIVA, M. S. V. de; MILORI, D. M. B. P.; GONÇALVES, D. S.; CARVALHO, C. M.; VENÂNCIO, A. L.; PEREIRA, F. M. V. Extração de características para geração de um classificador para detecção precoce do HLB em citros In: WORKSHOP DE VISÃO COMPUTACIONAL, 6., 2010, Presidente Prudente, São Paulo. Anais... Presidente Prudente: FCT/UNESP, 2010.Tipo: Artigo em Anais de Congresso |
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6. | | OLIVEIRA, L. R. de; GONÇALVES, D. S.; CAROLINO, A. S.; FACCINATTO, W. M.; MENEZES. D. C.; DIAS, C. O.; COLNAGO, L. A.; RUIZ, Y. L.; IU, S. T.; FONSECA FILHO, H. D.; CHAUDHURI, P.; CAMPELO, P. H.; MASCARENHAS, I. P.; SANCHES, E. A. Head-to-tail and head-to-head molecular chains of poly(p-anisidine): Combined experimental and theoretical evaluation. Molecules, v. 27, a6326, 2022. 28 p.Tipo: Artigo em Periódico Indexado | Circulação/Nível: A - 2 |
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7. | | OLIVEIRA, L. R. de; GONÇALVES, D. S.; CAROLINO, A. S.; FACCHINATTO, W. M.; MENEZES, D. C.; DIAS, C. O.; COLNAGO, L. A.; RUIZ, Y. L.; IU, S. T.; FONSECA FILHO, H. D. da; CHAUDHURI, P.; CAMPELO, P. H.; MASCARENHAS, Y. P.; SANCHES, E. A. Effects of Citrus Sudden Death Disease on Fatty Acid Profile of Orange Tree Bark Journal ohfthe Brazilian Chemical Society, v. 33, n. 6, 2022. 582 - 588Tipo: Artigo em Periódico Indexado | Circulação/Nível: A - 2 |
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