Titlebook: Direct Hydroxylation of Methane; Interplay Between Th Kazunari Yoshizawa Book 2020 Springer Nature Singapore Pte Ltd. 2020 Methane Activati

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Bradley W. Young,Bettina Callary an oxidant at high temperature. Since an isothermal process of this approach at temperature below 200 °C is highly desirable, understanding the mechanism of the oxidative activation is important for developing strategies to reduce the activation temperature. In this chapter, I provide an overview o

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Rylee A. Dionigi,Chelsea Litchfieldd desorption of methane on a surface. Then, the kinetics model introduced is further developed so that one can apply it to the dissociation dynamics of the C–H bond of methane on surface whether it happens in a high-pressure limit or low-pressure one. In the latter limit, an interesting concept of t

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Kazunari YoshizawaContains tutorials on the basic properties of methane based on its molecular orbitals.Facilitates understanding of the C-H activation concept by orbital interaction analysis.Provides information based

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https://doi.org/10.1007/978-981-15-6986-9Methane Activation; Density Functional Theory; Quantum Chemistry; Metal-Exchanged Zeolite; Methane Monoo

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978-981-15-6988-3Springer Nature Singapore Pte Ltd. 2020

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Theoretical Approach to Homogeneous Catalyst of Methane Hydroxylation: Collaboration with Computatitions of DFT to the reaction mechanisms and successful predictions of methane hydroxylation catalyzed by homogeneous catalysts and developed by the interplay with theory and experiment. Platinum complexes as organometallic catalysts and diiron, dicopper, and tricopper complexes as biomimetic catalysts are introduced.

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t by orbital interaction analysis.Provides information basedThis book focuses on theoretical and computational studies by the editor’s group on the direct hydroxylation of methane, which is one of the most challenging subjects in catalyst chemistry. These studies of more than 20 years include gas-ph