Iron Porphyrins as Biomimetical Models for Disperse Azo Dye Oxidation

Barros, Valéria P.; Assis, Marilda das Dores

doi:10.5935/0103-5053.20130110

Cited by 7 publications

(4 citation statements)

References 2 publications

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“…There is possibility of formation of C 5 H 6 N + , C 6 H 6 N + +, and C 6 H 5 NO + fragments with mass-to-charge ratio of m/e = 80, m/e = 92, and m/e = 107, respectively. The fragments show consistency with the result found in the literature [24],[26], [27]. There was a signi cant increase in the bond order in the dicationic states in relation to the isomeric positions of the r(N1-C2) bond length, following the order: oNA 2+ (26.92%) < pNA 2+ (45.8%) < mNA 2+ (54.4%).…”

Section: ( )supporting

confidence: 91%

Fragmentation route of doubly ionized benzene, aniline, and nitroanilines monomers using a novel protocol from density functional theory and QTAIM

Oliveira¹,

Costa

Mota

2023

J Mol Model

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The possibility of nding the fragmentation routes by theoretical methods, led us to compare the molecular ions between neutral molecules of benzene, aniline, and o-, m-, and p-nitroaniline, using the Density Functional Theory (DFT), under an aug-cc-pVDZ base set and a B3LYP exchange-correlation functional. After determining the structure and electronic energy of neutral and doubly ionized species, we used a new protocol based on the analysis of Wiberg's binding indexes and the quantum theory of atoms in Bader molecules (QTAIM). Where the charge transfer and electronic distribution in aromatic monomers indicate the possibility of fragment formation in at least two pairs of carbon-carbon (CC) atoms and indicate the possible loss of the -CNH 2 and -NO 2 groups in the aniline and nitroaniline molecules doubly ionized.

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Section: ( )supporting

confidence: 91%

Fragmentation route of doubly ionized benzene, aniline, and nitroanilines monomers using a novel protocol from density functional theory and QTAIM

Oliveira¹,

Costa

Mota

2023

J Mol Model

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“…A huge amount of papers reports the catalytic activity of metalloporphyrins in homogenous phase [33,127,136,137,138,139], even in the context of the treatment of textile dyes [140,141]. However, the heterogenization of the catalyst is a striking priority for the feasibility of a large scale process [29,142].…”

Section: Synthetic Metalloporphyrinsmentioning

confidence: 99%

“…Another cationic porphyrin, the iron(III) complex of 5,10,15,20-tetrakis( N -methylpyridinium-4-yl)porphyrin, immobilized by ionic exchange on montmorillonite K10, was applied as a catalyst in Disperse Orange 3 (4-(4′-nitrophenylazo)aniline) oxidation by hydrogen peroxide [141,200]. In that study, pH 3 was optimal for dye degradation, which mainly gives 4-nitroaniline as the oxidation product.…”

Section: Application Of Metalloporphyrins In the Decolorization Ofmentioning

confidence: 99%

Immobilized Lignin Peroxidase-Like Metalloporphyrins as Reusable Catalysts in Oxidative Bleaching of Industrial Dyes

et al. 2016

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Synthetic and bioinspired metalloporphyrins are a class of redox-active catalysts able to emulate several enzymes such as cytochromes P450, ligninolytic peroxidases, and peroxygenases. Their ability to perform oxidation and degradation of recalcitrant compounds, including aliphatic hydrocarbons, phenolic and non-phenolic aromatic compounds, sulfides, and nitroso-compounds, has been deeply investigated. Such a broad substrate specificity has suggested their use also in the bleaching of textile plant wastewaters. In fact, industrial dyes belong to very different chemical classes, being their effective and inexpensive oxidation an important challenge from both economic and environmental perspective. Accordingly, we review here the most widespread synthetic metalloporphyrins, and the most promising formulations for large-scale applications. In particular, we focus on the most convenient approaches for immobilization to conceive economical affordable processes. Then, the molecular routes of catalysis and the reported substrate specificity on the treatment of the most diffused textile dyes are encompassed, including the use of redox mediators and the comparison with the most common biological and enzymatic alternative, in order to depict an updated picture of a very promising field for large-scale applications.

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“…In fact, the fundamental pillar of green chemistry is catalysis, generally resulting in significant gains in terms of overall efficiency of a chemical reaction. Porphyrins and analogues are among the catalysts with recognized efficacy for azo dyes degradation [5,10].…”

Section: Introductionmentioning

confidence: 99%

Photocatalytic degradation of methyl orange mediated by a silica coated nanomagnet porphyrin hybrid

Castro

Rodrigues

Faustino

et al. 2021

Journal of Organometallic Chemistry

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Iron Porphyrins as Biomimetical Models for Disperse Azo Dye Oxidation

Cited by 7 publications

References 2 publications

Fragmentation route of doubly ionized benzene, aniline, and nitroanilines monomers using a novel protocol from density functional theory and QTAIM

Fragmentation route of doubly ionized benzene, aniline, and nitroanilines monomers using a novel protocol from density functional theory and QTAIM

Immobilized Lignin Peroxidase-Like Metalloporphyrins as Reusable Catalysts in Oxidative Bleaching of Industrial Dyes

Photocatalytic degradation of methyl orange mediated by a silica coated nanomagnet porphyrin hybrid

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