The thermochemistry of polyoxides and polyoxy radicals

J. S. Francisco; I. H. Williams

doi:10.1002/kin.550200605

The thermochemistry of polyoxides and polyoxy radicals

J. S. Francisco, I. H. Williams

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

A new estimate is derived for the group additivity contribution ΔH ƒ∘[O—(O)₂] = 55 ± 6 kJ mol⁻¹, based upon recent experimental data, which enables heats of formation and bond dissociation energies to be estimated for species RO_nR and RO n¨(R = H, CH₃, and CF₃). Semi‐empirical MNDO calculated heats of formation, for these species, provide independent support for the new thermochemical estimates. The results are also consistent with other theoretical and experimental evidence.

Original language	English
Pages (from-to)	455-466
Number of pages	12
Journal	International Journal of Chemical Kinetics
Volume	20
Issue number	6
DOIs	https://doi.org/10.1002/kin.550200605
Publication status	Published - 1 Jan 1988

ASJC Scopus subject areas

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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AB - A new estimate is derived for the group additivity contribution ΔH ƒ∘[O—(O)2] = 55 ± 6 kJ mol−1, based upon recent experimental data, which enables heats of formation and bond dissociation energies to be estimated for species ROnR and RO n¨(R = H, CH3, and CF3). Semi‐empirical MNDO calculated heats of formation, for these species, provide independent support for the new thermochemical estimates. The results are also consistent with other theoretical and experimental evidence.

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