Chapter 9. Theoretical Studies of the Addition of RMgX to Carbonyl Compounds

  1. Professor Zvi Rappoport2 and
  2. Ilan Marek3
  1. Shinichi Yamabe and
  2. Shoko Yamazaki

Published Online: 17 APR 2008

DOI: 10.1002/9780470751879.ch9

The Chemistry of Organomagnesium Compounds

The Chemistry of Organomagnesium Compounds

How to Cite

Yamabe, S. and Yamazaki, S. (2008) Theoretical Studies of the Addition of RMgX to Carbonyl Compounds, in The Chemistry of Organomagnesium Compounds (eds Z. Rappoport and I. Marek), John Wiley & Sons, Ltd, Chichester, UK. doi: 10.1002/9780470751879.ch9

Editor Information

  1. 2

    The Hebrew University, Jerusalem, Israel

  2. 3

    Technion-Israel Institute of Technology, Haifa, Israel

Author Information

  1. Department of Chemistry, Nara University of Education, Takabatake-cho, Nara, 630-8528, Japan

Publication History

  1. Published Online: 17 APR 2008
  2. Published Print: 29 FEB 2008

Book Series:

  1. PATAI'S Chemistry of Functional Groups

Book Series Editors:

  1. Professor Saul Patai and
  2. Professor Zvi Rappoport

Series Editor Information

  1. The Hebrew University, Jerusalem, Israel

ISBN Information

Print ISBN: 9780470057193

Online ISBN: 9780470751879

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Keywords:

  • single-electron-transfer (SET) mechanisms;
  • Grignard reaction - C–C bond formation organic reaction;
  • termolecular addition reaction;
  • Grignard reagent - kinetic isotope effect (KIE);
  • Grignard reagent calculation;
  • C–C bond-forming stage;
  • SET mechanism and Grignard reagents;
  • chelation-controlled addition models

Summary

This chapter contains sections titled:

  • Introduction

  • Experimental Background

  • Calculations of Grignard Reagents

  • Calculations of Model Grignard Reactions

  • A Comprehensive Computational Study of Grignard Reactions

  • References