Theory of the Hyperfine Splittings of Pi‐Electron Free Radicals. II. Nonempirical Calculations of Methyl Radical (Planar)

1970 ◽  
Vol 52 (4) ◽  
pp. 1740-1754 ◽  
Author(s):  
S. Y. Chang ◽  
E. R. Davidson ◽  
G. Vincow
Keyword(s):  
Free Radicals ◽  
Methyl Radical ◽  
Nonempirical Calculations ◽  
Hyperfine Splittings

Chlorine Hyperfine Splittings in Phenoxy Free Radicals

Nature ◽  
1964 ◽  
Vol 204 (4962) ◽  
pp. 991-992 ◽  
Author(s):  
B. T. ALLEN ◽  
W. VANNESTE
Keyword(s):  
Free Radicals ◽  
Hyperfine Splittings

Reactions of free radicals with aromatic compounds in the gaseous phase. II. Kinetics of the reaction of methyl radicals with phenol

1965 ◽  
Vol 18 (1) ◽  
pp. 20 ◽  
Author(s):  
MFR Mulcahy ◽  
DJ Williams
Keyword(s):  
Free Radicals ◽  
Gaseous Phase ◽  
Hydrogen Abstraction ◽  
High Reactivity ◽  
Phenoxy Radical ◽  
Methyl Radicals ◽  
Methyl Radical ◽  
Kinetics Of Formation ◽  
Phenolic Substances ◽  
Kinetics Of

Knowledge of the reactivity of phenols towards simple free radicals is needed to throw light on the behaviour of the phenolic substances involved in the pyrolysis of coal and other organic materials. In the present investigation the reaction between methyl radicals and phenol vapour has been studied a t total pressures from 0.5 to 3 cmHg and temperatures from 445 to 547°K, the concentrations of methyl radicals and phenol being varied from 2 × 10-12 to 4 × 10-11 and 1 × 10-8 to 8 × 10-7 mole cm-3 respectively. The main products identified by gas chromatography were methane and o- and p-cresol, together with a little anisole and 2,4- and 2,6-dimethylphenol. The cresols are produced via hydrogen abstraction Diagram followed by combination of a methyl radical at a ring position of the phenoxy radical either ortho or para to the oxygen atom, e.g. in the case of the para position: Diagram The kinetics can be explained by postulating (a) that the keto forms of the cresols (methylcyclohexadienones) formed initially by reaction (6) have a finite lifetime in the gaseous phase and (b) that these molecules, which contain a tertiary hydrogen atom α to a system of a carbonyl bond and two carbon-carbon double bonds, partly undergo hydrogen abstraction by methyl radicals before they are able to enolize: CH3· + (HCH3 = C6H4 = O → CH4 + CH3C6H4O· The mechanism is consistent with the kinetics of formation of methane, the distribu- tion of the free electron in the phenoxy radical, the formation of o- and p-cresols as major products, the kinetics of formation of the cresols, and the high reactivity of the intermediate product towards methyl radicals.

Hyperfine Splittings in the Paramagnetic Resonances of Free Radicals

1953 ◽  
Vol 21 (12) ◽  
pp. 2227-2228 ◽  
Author(s):  
S. I. Weissman ◽  
J. Townsend ◽  
Donald E. Paul ◽  
G. E. Pake
Keyword(s):  
Free Radicals ◽  
Hyperfine Splittings

ChemInform Abstract: Two Functionalized Free Radicals of the Tris(2,4,6-trichlorophenyl) methyl Radical Series. Synthesis, Stability and EPR Analysis

ChemInform ◽  
2010 ◽  
Vol 26 (4) ◽  
pp. no-no
Author(s):  
J. CARILLA ◽  
L. FAJARI ◽  
L. JULIA ◽  
J. RIERA ◽  
L. VIADEL
Keyword(s):  
Free Radicals ◽  
Methyl Radical

Theory of the Proton Hyperfine Splittings of Pi‐Electron Free Radicals. I. The CH Fragment

1968 ◽  
Vol 49 (2) ◽  
pp. 529-540 ◽  
Author(s):  
S. Y. Chang ◽  
E. R. Davidson ◽  
G. Vincow
Keyword(s):  
Free Radicals ◽  
Hyperfine Splittings
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