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@article{197431,
        author = {Mizbah Patel},
        title = {Kinetic Modeling and Catalytic Efficiency of Metavanadate-Mediated Alcohol Oxidation: Substrate Reactivity and Transition State Analysis},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {12},
        number = {11},
        pages = {8248-8259},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=197431},
        abstract = {Alcohol oxidation is one of the most widespread general methods of synthesis of organic compounds widely used in pharmaceutical, fine chemical and industrial reactions. Transition metal catalysts, in particular, the vanadium catalysts have also been given a great attention as they are redox versatile, eco-friendly and have a high catalytic capacity. These have the most promising of these being the metavanadate ions which have a high oxidative potential and little is known about the kinetic and mechanistic insight behind the action of metavanadate in assisting the oxidation of alcohols. The paper will attempt to methodically look at the kinetics of the reaction, the catalytic efficiency, substrate reactivity and transition state behaviour of alcohol oxidation catalysed by metavanadate. The use of a merged experimental kinetic study, and computational study is applied. Different conditions are used in measurement of the reaction rates to describe the rate laws, the activation parameters and the indicators of the catalytic performance such as the turnover number and turnover frequency. Additionally, the reaction pathways and the significant intermediates and energy barriers are calculated with the help of the density functional theory (DFT) and transition state theory. The study uses different forms of alcohol substrates, including primary, secondary and aromatic alcohols to establish structure-reactivity relationships. It will be expected that the results will reveal certain kinetic tendencies, including the dependence on the reaction order of both the substrate and the catalyst concentration and various rate constants of the alcohols of various kinds. The computational analysis is assumed to provide support to the experimental observations to clarify the transition state geometries and the energy of activation. Overall, this is a significant paper in terms of providing information on how to streamline catalytic systems involving the use of metavanadate and are geared towards the development of efficient and sustainable oxidation reactions.},
        keywords = {Metavanadate catalysis; Alcohol oxidation; Reaction kinetics; Transition state analysis; Catalytic efficiency; Vanadium chemistry; Substrate reactivity},
        month = {April},
        }