Substituent effects on C-H bond strengths of the benzylic positions in coal-model compound: Effects of sulfur, oxygen, nitrogen, and aromatic moieties on the stabilities of radicals
Conference
·
OSTI ID:254770
- Pacific Northwest Lab., Richland, WA (United States); and others
Incorporation of equilibrium acidities of weak acids and the oxidation potentials of their conjugate bases in a thermochemical cycle enable accurate determination of the effects of substituents on bond dissociation energies (BDEs) of the adjacent C-H bonds. Subtraction of these from the BDE of methane provided a measure of the radical stabilization energies (RSEs) for the corresponding radicals relative to that of methyl radical. In this study we have examined the effects of sulfur, oxygen, nitrogen, aromatic and coal model structures on RSE in RX(CH{center_dot})A, where the acceptor function A is phenyl, fluorenyl and PhC(O).
- OSTI ID:
- 254770
- Report Number(s):
- CONF-940813--
- Country of Publication:
- United States
- Language:
- English
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