Decomposition of the permanganate/oxalic acid overall reaction to elementary steps based on integer programming theory

Kovács, Krisztián A.; Vízvári, Béla; Riedel, M.; Tóth, János

doi:10.1039/b315211a

Cited by 23 publications

(13 citation statements)

References 11 publications

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“…Kovács et al (2004) suggested a systematic method to obtain chemically acceptable decompositions of a global reaction. Then, the corresponding global reaction is generated from these reaction steps.…”

Section: Pathways Leading To the Consumption Or Production Of A Speciesmentioning

confidence: 99%

Analysis of Kinetic Reaction Mechanisms

Turányi¹,

Tomlin²

2014

198

172

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Section: Pathways Leading To the Consumption Or Production Of A Speciesmentioning

confidence: 99%

Analysis of Kinetic Reaction Mechanisms

Turányi¹,

Tomlin²

2014

198

172

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“…2 have been reported earlier. 14,15 In order to account for the 2:1 stoichiometry, we conclude that the radical C 2 O − 4 . (≡ CO −.…”

Section: Product Analysis and Stoichiometrymentioning

confidence: 99%

Kinetics and mechanistic study of the reduction of $$\hbox {Mn}^{\mathrm{III}}$$ Mn III by oxalate in Salophen scaffold: relevance to oxalate oxidase

et al. 2018

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The trans-Mn III (Salophen)(OH 2) 2 + and bioxalate (HOX −) in aqueous medium equilibrate rapidly to trans-Mn III (Salophen)(OH 2)(HOX) followed by the acid dissociation equilibrium to the (aqua) mono oxalato complex. The slow redox reactions of trans-Mn III (Salophen)(OH 2)(HOX/OX) 0/− with H 2 OX, HOX − ,OX 2− obey second order kinetics satisfying 2:1 stoichiometry ([Mn III ] T /[OX] T = 2/1). The products are Mn II and CO 2. Acrylamide monomer has no effect on the rate constant and the reaction does not induce its polymerization. The rate and activation parameters for the various rate limiting paths are reported. The intramolecular reduction of Mn III by the coordinated HOX − and OX 2− in trans-Mn III (Salophen)(OH 2)(HOX/OX) 0/− could not be detected. Contrary to our expectation, it is observed that H 2 OX is a better reducing agent than HOX − for trans-Mn III (Salophen)(OH 2)(HOX), the slowest being the redox reaction of OX 2− with trans-Mn III (Salophen)(OH 2)(OX) −. The molecular modelling by DFT depicts the structural trans effect in the oxalato complexes, it being maximum for trans-Mn III (Salophen)(OH 2)(OX) −. The observed sequence of the redox activity of the oxalato complexes reflects the potential role of non-covalent interaction i.e. H-bonding, governing the proton controlled electron transfer process (PCET). The Mn III (Salophen/Salen) complexes may turn out to be good substitute candidates for Oxalo Oxidase (OXO) enzyme in alleviating the oxalate overload in plants and animal biochemistry.

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“…The oxidation of oxalate by Mn III and its complexes including Mn III OX + is known to generate the oxalate radical, C 2 O 4 À c which decomposes in a fast step to yield the radical CO 2 À c and CO 2 . 18,23 Recently the computer simulation of the complex oxalic acid permanganate reaction which involve the oxalate complexes of Mn III unearthed the less known crucial role of the radical CO 2 À c. 24 The dimerisation of CO 2 À c is also fast and regenerates oxalate. If this is a major step of the loss of C 2 O 4 À c then the overall stoichiometry of the reaction of Mn III complex with OX 2À /HOX À /H 2 OX will be 1 : 1.…”

Section: 53mentioning

confidence: 99%