Chapter 6. Transition Metal Catalyzed Carbon[BOND]Carbon Bond Formation: The Key of Homogeneous Catalysis

  1. Prof. Dr. Keiji Morokuma2 and
  2. Dr. Djamaladdin G. Musaev3,4
  1. Valentine P. Ananikov1,
  2. Dr. Djamaladdin G. Musaev3,4 and
  3. Keiji Morokuma2

Published Online: 1 APR 2008

DOI: 10.1002/9783527621965.ch6

Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts

Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts

How to Cite

Ananikov, V. P., Musaev, D. G. and Morokuma, K. (2008) Transition Metal Catalyzed Carbon[BOND]Carbon Bond Formation: The Key of Homogeneous Catalysis, in Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts (eds K. Morokuma and D. G. Musaev), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527621965.ch6

Editor Information

  1. 2

    Cherry L. Emerson Center for Scientific Computation, Emory University, Department of Chemistry, 1515 Dickey Dr., Atlanta, GA 30322, USA

  2. 3

    Emory University, C.L. Emerson Center, 1521, Dickey Drive, Atlanta, GA 30322, USA

  3. 4

    Cherry L. Emerson Center for Scientific Computation, Emory University, 1515 Dickey Dr., Atlanta, GA 30322, USA

Author Information

  1. 1

    N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninski Prospect 47, Moscow 119991, Russia

  2. 2

    Cherry L. Emerson Center for Scientific Computation, Emory University, Department of Chemistry, 1515 Dickey Dr., Atlanta, GA 30322, USA

  3. 3

    Emory University, C.L. Emerson Center, 1521, Dickey Drive, Atlanta, GA 30322, USA

  4. 4

    Cherry L. Emerson Center for Scientific Computation, Emory University, 1515 Dickey Dr., Atlanta, GA 30322, USA

Publication History

  1. Published Online: 1 APR 2008
  2. Published Print: 23 JAN 2008

ISBN Information

Print ISBN: 9783527318438

Online ISBN: 9783527621965

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Keywords:

  • computational modeling;
  • homogenous catalysis;
  • enzymatic catalysis;
  • transition metal catalyzed carbon[BOND]carbon bond formation;
  • C[BOND]C coupling;
  • unsaturated ligands;
  • C[BOND]C reductive elimination reaction

Summary

This chapter contains sections titled:

  • Introduction

    • Catalytic C[BOND]C Bond Formation via the Reductive Elimination Pathway

    • Reductive Elimination of Alkyl Groups (Alkyl–Alkyl Coupling)

  • C[BOND]C Coupling of Unsaturated Ligands

    • Reductive Elimination from the Symmetrical R2M(PH3)2 Complexes

    • Reductive Elimination from the Asymmetrical RR′M (PH3)2 Complexes

    • Homocoupling versus Heterocoupling Pathways via C[BOND]C Reductive Elimination

    • Metal Effect on C[BOND]C Reductive Elimination Reaction

    • Ligand Effect on C[BOND]C Reductive Elimination Reaction

    • Dissociative Mechanism of C[BOND]C Bond Formation

    • Solvent Effect on C[BOND]C Reductive Elimination Reaction

    • Reductive Elimination of Unsaturated Organic Molecules Involving Cyano and Carbonyl Groups

  • Conclusions

  • References