Transition Metal Catalyzed σ-Bond Activation and Formation Reactions

  • Djamaladdin G. MusaevEmail author
  • Keiji Morokuma
Part of the Topics in Organometallic Chemistry book series (TOPORGAN, volume 12)


The factors controlling the transition metal catalyzed σ-bond (including H-H, C-H and C-C) activation and formation, the fundamental steps of many chemical transformations, were analyzed. It was demonstrated that in the mono-nuclear transition metal systems the (1) availability of the lower lying s1dn–1 and s0dn states of the transition metal atoms, and (2) nature of the ligands facilitating the reduction of the energy gap between the different oxidative states of the transition metal centers are very crucial. Meanwhile, in the transition metal clusters the “cooperative” (or “cluster”) effects play important roles in the catalytic activities of these clusters. Another important factor affecting the catalytic activity of the transition metal systems shown to be their redox activity.

σ-Bond activation and formation Transition metal systems Catalytic activity 


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Authors and Affiliations

  1. 1.Cherry L. Emerson Center for Scientific Computation and Department of ChemistryEmory UniversityAtlantaUSA

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