TOC

Top

  1. Introduction and Retrospective
  2. Structure of TSs and Intrinsic Reaction Coordinate of Radical Addition
  3. Objects of Investigation: Basic Set of Reactions
  4. Thermochemical Aspect
  5. Energy Partitioning
  6. Results of the PMO Theory Approach
  7. Alternative Form of the PMO Equation: Effective Electronegativity of Reagent
  8. Comparison of Direct TS Calculations with Indices of Reactivity
  9. Empirical Schemes of Vinyl Monomers' Relative Reactivity in Radical Addition Reactions
  10. Conclusions
  11. References

Radical addition to the vinyl C=C bond: Quantum chemistry model of the reaction

Online calculator of relative reactivity of vinyl monomers

Calculation of relative rate constants of radical addition to vinyl monomers by means of empirical scheme. When possible, values calculated from experimental data [1] shown. (see Abbrevations... – vinyl monomers: MSt, α-methylstyrene; MAN, methacrylic nitryl; MMA, methyl methacrylate; IPA, isopropenylacetate; VBuE, vinyl buthyl ether; ViPy, vinylpyridine; MVK, methylvinylketone; DPE, 1,1-diphenylethene; VF, vinyl fluoride. Radicals: poly-Xxx polyalkyl radicals ∼CH2−C•HY, generated from vinyl monomers in polymerization)

Radical: , relative to , sort by: