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Computed thermodynamics of H2 loss (kcal/mol) from (A) [1-C6H12][BArF4] and (B) [1-C4H10][BArF4] expressed as ΔG, the overall free energy change per unit cell, and ΔGRh, the free energy change per Rh center. See Supporting Information for a comparison of computed and observed metrics.
