脱氢
甲烷
化学
氢原子萃取
限制
计算化学
卡宾
抽象
物理化学
氢
光化学
热力学
有机化学
催化作用
物理
哲学
工程类
认识论
机械工程
标识
DOI:10.1002/anie.201006424
摘要
Four seemingly simple transformations related to the chemistry of methane will be addressed from mechanistic and conceptual points of view: 1) metal-mediated dehydrogenation to form metal carbene complexes, 2) the hydrogen-atom abstraction step in the oxidative dimerization of methane, 3) the mechanisms of the CH(4)→CH(3)OH conversion, and 4) the initial bond scission (C-H vs. O-H) as well as the rate-limiting step in the selective CH(3)OH→CH(2)O oxidation. State-of-the-art gas-phase experiments, in conjunction with electronic-structure calculations, permit identification of the elementary reactions at a molecular level and thus allow us to unravel detailed mechanistic aspects. Where appropriate, these results are compared with findings from related studies in solution or on surfaces.
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