Mechanism of the methyltrioxorhenium-catalyzed deoxydehydration of polyols: a new pathway revealed

Chemistry. 2013 Mar 18;19(12):3827-32. doi: 10.1002/chem.201204001. Epub 2013 Feb 18.

Abstract

Polyols pathway probed: Density functional theory computations reveal that the methyltrioxorhenium-catalyzed deoxydehydration of polyols follows pathway C, which is energetically more favorable than the previously proposed pathways A and B. In addition to serving as solvent/reductant, the alcohol also acts as a shuttle to greatly facilitate various hydrogen-transfer steps.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alcohols / chemistry*
  • Alkenes / chemical synthesis*
  • Catalysis
  • Models, Molecular
  • Organometallic Compounds / chemistry*
  • Polymers / chemistry*
  • Reducing Agents / chemistry
  • Thermodynamics

Substances

  • Alcohols
  • Alkenes
  • Organometallic Compounds
  • Polymers
  • Reducing Agents
  • polyol
  • methyltrioxorhenium VII