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. Author manuscript; available in PMC: 2018 Feb 14.
Published in final edited form as: J Am Chem Soc. 2017 Jan 5;139(2):701–707. doi: 10.1021/jacs.6b09180

Table 3.

Thermodynamic parameters for the reaction of 4H2− and 5H2− and previously reported Rieske models 2H2− and 3bH2− with TEMPO.

3bH2− 11 2H2− 9 4H2− 5H2−
ΔH‡ [kJ/mol] 6.7 ±1.3 8.7 ±1.0 14.2 ± 3.3 17.6 ± 3.0
ΔS‡ [J/mol K] −159 ± 10 −120 ±5 −132 ± 12 −143 ± 11
kobs at 293K [M−1 s−1] 2200 ± 350 95000 ± 12000 1280 ± 120 135 ± 27
BDFE [kJ/mol] 253 ± 4 252 ± 2 232 ± 4 230 ± 4
ΔG‡ at 293 K [kJ/mol] 54.0 43.8 54.3 59.8
ΔG0CPET [kJ/mol] −25.1 −26.4 −46.3 −48.4