An accurate estimate of the relative energetics of the π- and σ-succinimidyl radicals
Abstract
Ab initio calculations of the relative energetics of the π- and σ-states of the succinimidyl radical including geometry optimization and electron correlation result in the following relative energies (in kJ mol–1): Sπ, 0.0, Sσ(N), 21.5; Sσ(O), 168.9.