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 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.
| Original language | English |
|---|---|
| Pages (from-to) | 455-466 |
| Number of pages | 12 |
| Journal | International Journal of Chemical Kinetics |
| Volume | 20 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 1 Jan 1988 |
ASJC Scopus subject areas
- Biochemistry
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
Cite this
The thermochemistry of polyoxides and polyoxy radicals. / Francisco, J. S.; Williams, I. H.
In: International Journal of Chemical Kinetics, Vol. 20, No. 6, 01.01.1988, p. 455-466.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The thermochemistry of polyoxides and polyoxy radicals
AU - Francisco, J. S.
AU - Williams, I. H.
PY - 1988/1/1
Y1 - 1988/1/1
N2 - 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.
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.
UR - http://www.scopus.com/inward/record.url?scp=84985408962&partnerID=8YFLogxK
U2 - 10.1002/kin.550200605
DO - 10.1002/kin.550200605
M3 - Article
VL - 20
SP - 455
EP - 466
JO - International Journal of Chemical Kinetics
JF - International Journal of Chemical Kinetics
SN - 0538-8066
IS - 6
ER -