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Unravelling the Mechanism and Kinetics of Aerobic Baeyer-Villiger Oxidation of Cyclohexanone
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  • Jiexiang Wang,
  • Xiaoling Chen,
  • Ley Boon Sim,
  • Lei Guan,
  • Xiaoqi He,
  • Xiantai Zhou,
  • Bing Hui Chen
Jiexiang Wang
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Xiaoling Chen
Sun Yat-Sen University
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Ley Boon Sim
Xiamen University - Malaysia
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Lei Guan
Sun Yat-Sen University
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Xiaoqi He
Sun Yat-Sen University
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Xiantai Zhou
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Bing Hui Chen
Xiamen University

Corresponding Author:[email protected]

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This study explores the aerobic Baeyer-Villiger oxidation of cyclohexanone into ε-caprolactone using metalloporphyrin and benzaldehyde, a greener process to replace hazardous concentrated peroxyacid. The reaction mechanism involves a series of free radical reactions, identified through in-situ EPR. In this complex three-component reaction, we developed an intrinsic kinetic model based on the proposed mechanism. Utilizing a hyperbolic equation, the model well fits experimental data, describing biomimetic catalytic behavior of the aerobic Baeyer-Villiger oxidation. The reaction orders for the three reactants corroborate the kinetic model, with the activation energy of oxygen (130.27 kJ/mol) surpassing cyclohexanone (94.85 kJ/mol) and benzaldehyde (40.73 kJ/mol), implying slow initial oxygen activation while rapid subsequent benzaldehyde oxidation, making oxygen transfer and activation key steps. This unified approach to elementary reaction, mechanism, and intrinsic kinetics provides robust forecasts and lays the groundwork for additional studies, such as side reactions control and mass transfer enhancement and reactor design.
07 Jun 2023Submitted to AIChE Journal
18 Jun 2023Submission Checks Completed
18 Jun 2023Assigned to Editor
18 Jun 2023Review(s) Completed, Editorial Evaluation Pending
25 Jun 2023Reviewer(s) Assigned
15 Jul 2023Editorial Decision: Revise Minor
05 Aug 20231st Revision Received
06 Aug 2023Submission Checks Completed
06 Aug 2023Assigned to Editor
06 Aug 2023Review(s) Completed, Editorial Evaluation Pending
08 Aug 2023Reviewer(s) Assigned
06 Sep 2023Editorial Decision: Accept