Thermochemical kinetics of bromine nitrate, bromine nitrite, halogen hydroperoxides, dichlorine pentoxide, peroxycarboxylic acids, and diacyl peroxides
✍ Scribed by Agustín J. Colussi; María A. Grela
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 129 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0538-8066
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✦ Synopsis
Heats of formation of BrONO 2 , BrONO, BrOOH, FOOH, FOOCl, CF 3 C(O)OOH, HC(O)OOH, CH 3 C(O)OOH, and [CH 3 C(O)O] 2 are estimated from bond contributions taken from J. Phys. Chem., 100, 10150 (1996). They agree within Ϯ2 kcal/mol with recent experimental or ab initio data. The resulting kcal/mol value in diacetyl peroxide requires the BDE(O9 O) ϭ 36 concerted assistance of exothermic weakening in the transition state of its decom-C9C(O) position into free radicals. It also implies the existence of a previously unrecognized 12 kcal/ mol nonbonded repulsion in acyl anhydrides. The formation of chloryl chlorate with ⌬H f (O 2 ClOClO 2 kcal/mol, a marginally stable species toward dissociation into ) ϭ 50 (ClO ϩ 3 may account for observations made in the [O( 3 P ClO] system at low temperatures. OClO), ) ϩ O