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A DFT Study on the C−H Bond Dissociation Enthalpies of Haloalkanes: Correlation between the Bond Dissociation Enthalpies and Activation Energies for Hydrogen Abstraction

✍ Scribed by Chandra, Asit K.; Uchimaru, Tadafumi

Book ID
121449193
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
56 KB
Volume
104
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES

Estimation of rate constants for hydroge
Estimation of rate constants for hydrogen atom abstraction by OH radicals using the CH bond dissociation enthalpies: Haloalkanes and haloethers
✍ Asit K. Chandra; Tadafumi Uchimaru; Shingo Urata; Masaaki Sugie; Akira Sekiya 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB 👁 1 views

## Abstract We propose a semiempirical procedure for the estimation of the rate constants for hydrogen atom abstraction reactions of OH radicals with haloalkanes and haloethers. Our procedure is derived from the collision theory based kinetic equation, which was originally proposed by Heicklen (__I

The correlation of rate coefficients for
The correlation of rate coefficients for H-atom abstraction by HO radicals with CH bond dissociation enthalpies
✍ Julian Heicklen 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 492 KB 👁 1 views

## Abstract For H‐atom abstraction reactions by HO radicals it has been shown that equation image If __D__~__i__~ is taken as the CH bond dissociation enthalpy at 298 K, then __a__ = 0.323 and __D__~0~is obtained from the empirical formula where __D__~0~ is in kcal/mol and __T__ is in K. Thisr