A comprehensive experimental, multivariate statistical, and DFT computational analysis of the catalytic oxidation of benzyl alcohols mediated by Mn(III) and Fe(III) metalloporphyrins

Larissa Chimilouski; Sheetal Ranaut; William Henrique Slominski; Patrícia Salvador Tessaro; Gilson de Freitas Silva; Edmar Martendal; Cláudio N. Verani; Shivnath Mazumder; Fernando R. Xavier

doi:10.1039/d5dt02798e

January 1, 2026Dalton Transactions

A comprehensive experimental, multivariate statistical, and DFT computational analysis of the catalytic oxidation of benzyl alcohols mediated by Mn(III) and Fe(III) metalloporphyrins

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Key Points

The research investigates the efficiency of Mn(III) and Fe(III) metalloporphyrins in catalyzing the oxidation of p-substituted benzyl alcohols.
Evaluated oxidation reactions using MnIII(TPP)Cl and FeIII(TPP)Cl catalysts
Utilized diacetoxyiodo benzene as the oxidizing agent
Applied multivariate statistical analysis and DFT computational methods
Both metalloporphyrin catalysts effectively oxidized benzyl alcohols
Demonstrated variations in catalytic efficiency based on substitution on benzyl alcohols
DFT analysis provided insights into the reaction mechanisms

Implication

Comprehensive experimental and computational analysis reveals efficiency of metalloporphyrins in oxidation processes.

Abstract

The oxidation of p-substituted benzyl alcohols by metallated tetraphenylporphyrin catalysts [MnIII(TPP)Cl] (1) and [FeIII(TPP)Cl] (2) in presence of the oxidizing agent (diacetoxyiodo)benzene (DAIB) was evaluated by means of an integrated...

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Chimilouski et al. (2026) studied this question.

synapsesocial.com/papers/6980fe8ac1c9540dea810a7a https://doi.org/10.1039/d5dt02798e

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A comprehensive experimental, multivariate statistical, and DFT computational analysis of the catalytic oxidation of benzyl alcohols mediated by Mn(III) and Fe(III) metalloporphyrins

Key Points

Implication

Abstract

Discussion

Cite This Study

A comprehensive experimental, multivariate statistical, and DFT computational analysis of the catalytic oxidation of benzyl alcohols mediated by Mn(III) and Fe(III) metalloporphyrins

Key Points

Implication

Abstract

Discussion

Cite This Study

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