𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Relationship between bond dissociation energies and activation energies for bond scission reactions

✍ Scribed by G. P. Smith; J. A. Manion; M. J. Rossi; A. S. Rodgers; D. M. Golden

Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
451 KB
Volume
26
Category
Article
ISSN
0538-8066

No coin nor oath required. For personal study only.

✦ Synopsis

Bond dissociation energies are frequently derived from values of the high pressure activation energy for bond scission reactions. The value derived depends on the transition state structure chosen for the reaction. We consider several models of the transition state and show that the variation in derived BDE values can be quite substantial, 3 to 6 kcal/mol at the high temperatures of pyrolysis kinetics. Application of the restricted Gorin model of the transition state results in BDE values in good agreement with current thermochemistry, while the other models tested result in lower to much lower values.

πŸ“œ SIMILAR VOLUMES

Homopolar and Heteropolar Bond Dissociat
Homopolar and Heteropolar Bond Dissociation Energies and Heats of Formation of Radicals and Ions in the Gas Phase II. The relationship between structure and bond dissociation in organic molecules
✍ Kurt W. Egger; Alan T. Cocks πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 German βš– 944 KB

## Abstract The preceeding paper presents a critical tabular compilation of 2‐center homo‐ and heteropolar bond dissociation energies. This paper deals with some empirically derived general aspects of these data, particularly regarding relationships between structure and reactivity, __i.e__. substi

AN ELECTRONEGATIVITY MODEL FOR POLAR GRO
AN ELECTRONEGATIVITY MODEL FOR POLAR GROUND-STATE EFFECTS ON BOND DISSOCIATION ENERGIES
✍ Werner M. Nau πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 195 KB

Homolytic bond dissociation energies are a composite of the radical stabilization energies (RSE) of the product radicals and the polar ground-state stabilization energies (PSE) of the reactant molecules. Substituent effects on the PSE are rationalized in terms of changes in the difference of group e