Addition Reactions of Molecular Oxygen to Alkene Radical Cations. Steric and Electronic Effects

DOI

Bibliographic Information

Other Title
  • ラジカルカチオンの付加反応における立体および電子的効果について

Description

In order to compare the relative stability (the ease of formation) of peroxy radical cations, which are not isomeric to each other, we utilize the isodesmic reactions in which only difference in both sides is to which olefin radical cation molecular oxygen adds. By calculating energy with B3LYP/6-31G(d) level of theory of the equilibrium structures of various peroxy radical cations with use of a peroxy radical cation as a standard, we can quantitatively compare the relative stability of various peroxy radical cations. Extended data set of various peroxy radical cations containing phenyl, alkyl, and adamantyl groups are presented, and the role of the substituent effects on the stability of these reactive species will be discussed.

Journal

Keywords

Details 詳細情報について

  • CRID
    1390282680531836416
  • NII Article ID
    130004646432
  • DOI
    10.11494/kisoyuki.57.0.11.0
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

Report a problem

Back to top