Decomposition of S -Nitrosothiols: Unimolecular versus Autocatalytic Mechanism
โ Scribed by Grossi, Loris; Montevecchi, Pier Carlo; Strazzari, Samantha
- Book ID
- 121422911
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 36 KB
- Volume
- 123
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
Under anaerobic conditions S-nitrosothiols 1 a ยฑ e undergo thermal decomposition by homolytic cleavage of the SรN bond; the reaction leads to nitric oxide and sulfanyl radicals formed in a reversible manner. The rate constants, k 1 , have been determined at different temperatures from kinetic measur
## Abstract The decomposition pathways of chloromethanol have been studied by __ab initio__ calculation. Equilibriums and transition states have been optimized at the UMP2(full)/6โ31G(d) level. The single point energies have been obtained at higher level of G3 (MP2). Four transition states and eigh