Effect of Substituents on the Stability of Sulfur-Centered Radicals
High-level ab initio calculations have been used to calculate the standard and inherent radical stabilities (RSEs) of a test set of 41 sulfur-centered radicals, chosen for their relevance in fields as diverse as combustion, atmospheric chemistry, polymer chemistry, and biochemistry. Radical stability was shown to be profoundly affected by substituents, varying over a 30 kcal mol(-1) range for the test set studied. Like carbon-centered radicals, substituent effects on sulfur-centered radical...[Show more]
|Collections||ANU Research Publications|
|Source:||The journal of physical chemistry. A|
|Access Rights:||Open Access|
|Effect of Substituents on the Stability of Sulfur-Centered Radicals.pdf||901.81 kB||Adobe PDF|
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