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. 2023 Jun 9;145(24):13420–13434. doi: 10.1021/jacs.3c03543

Table 4. Experimental Difference in Enthalpy ΔΔHexp, Theoretical Activation Enthalpy for Photosubstitution ΔH1, comp, and Activation Enthalpy for Nonradiative Decay ΔH2, expa.

solvent complex ΔΔHexp (kJ/mol) ΔH1, comp (kJ/mol) ΔH2, exp (kJ/mol)
waterb [1a](PF6)2 22.9 ± 0.03 37.5 14.6
  [2a](PF6)2 57.1 ± 0.03 64.7 7.6
acetonitrile [1a](PF6)2 23.9 ± 0.02 52.2 28.3
  [2a](PF6)2 –20.6 ± 0.19 38.3 58.9
a

Calculated according to eq 12

b

Water:acetone 1:1 for experimental values.