The correlation of rate coefficients for H-atom abstraction by HO radicals with CH bond dissociation enthalpies

For H‐atom ion reactions by HO radicals it has been shown that If Di is taken as the CH bond dissociation enthalpy at 298 K, then a = 0.323 and D0is obtained from the empirical formula \documentclass{article}\pagestyle{empty}\begin{document}$$ D_0 ^{ - 1} = 1.062 \times 10^{ - 2} + 3.52 \times 10^{...

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Veröffentlicht in:International journal of chemical kinetics 1981-07, Vol.13 (7), p.651-665
1. Verfasser: Heicklen, Julian
Format: Artikel
Sprache:eng
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Zusammenfassung:For H‐atom ion reactions by HO radicals it has been shown that If Di is taken as the CH bond dissociation enthalpy at 298 K, then a = 0.323 and D0is obtained from the empirical formula \documentclass{article}\pagestyle{empty}\begin{document}$$ D_0 ^{ - 1} = 1.062 \times 10^{ - 2} + 3.52 \times 10^{ - 6} T $$\end{document} where D0 is in kcal/mol and T is in K. Thisrelationship is valid for T between 200 and 400 K. Finally empiricalrelationships are given to help estimate Di.
ISSN:0538-8066
1097-4601
DOI:10.1002/kin.550130706