Radical Stability—Thermochemical Aspects
Authors:
- 13 January 2012
- book chapter
- Published by Wiley
Abstract
Reaction enthalpies for hydrogen transfer reactions provide a quantitative basis for the definition of the stability of C‐, S‐, O‐, N‐, and B‐centered radicals. The radical stabilization energies (RSEs) obtained in this way reflect the influence of the substitution pattern on the unpaired spin as well as ground state effects in the respective closed shell parent systems. The combination of theoretically calculated RSEs with experimentally measured bond dissociation energy (BDE) data allows for the construction of global stability scales for radicals of different type and thus the opportunity to predict reaction energies for a wide range of hydrogen transfer reactions.Keywords
This publication has 88 references indexed in Scilit:
- Adenosyl Radical: Reagent and Catalyst in Enzyme ReactionsChemBioChem, 2010
- A Hierarchy of Homodesmotic Reactions for ThermochemistryJournal of the American Chemical Society, 2009
- Near-Ultraviolet Photodissociation of ThiophenolThe Journal of Physical Chemistry A, 2008
- Bond Dissociation Energies and Radical Stabilization Energies: An Assessment of Contemporary Theoretical ProceduresThe Journal of Physical Chemistry A, 2008
- Radical Enzymes in AnaerobesAnnual Review of Microbiology, 2006
- Pauling's Electronegativity Equation and a New Corollary Accurately Predict Bond Dissociation Enthalpies and Enhance Current Understanding of the Nature of the Chemical BondThe Journal of Organic Chemistry, 2003
- Hydroxylamines as Oxidation Catalysts: Thermochemical and Kinetic StudiesThe Journal of Organic Chemistry, 2003
- Radical stabilization energies and synergistic (captodative) effectsJournal of the American Chemical Society, 1989
- The captodative effectAccounts of Chemical Research, 1985
- Trapping of unstable conformations from thermal molecular beams in argon matrices: 1,2-difluoroethane and 1,3-butadiene, i.r. spectra and conformer equilibriaSpectrochimica Acta Part A: Molecular Spectroscopy, 1981