We next applied the energetic span model to approximate catalytic turnover frequencies for DADLEC and LUSHOX04 in the presence of N2O as the oxidant. 101 Both MOFs have the same turnover-determining transition state (TDTS) that is associated with the oxo formation step (Figure ). The turnover-determining intermediate (TDI) for DADLEC is the expected methanol-bound intermediate (Figure ). However, for LUSHOX04, the rebound step is slightly endergonic because the favorable enthalpy is outweighed by the loss of translational entropy. Thus, the TDI for LUSHOX04 is the hydroxo intermediate (Figure ). The methanol release energy still defines one extremum of the energetic span for LUSHOX04, dictating the overall turnover frequency. The energetic span, dG for DADLEC and LUSHOX04 are 26.7 kcal/mol and 26.3 kcal/mol, respectively (Supporting Information Table ). Despite the sensitivity of the quantitative free energy landscapes to the choice of functional, the energetic spans are qualitatively comparable to those on other MOF SBUs studied computationally for light alkane hydroxylation. These promising computed turnover frequencies for methane to methanol catalysis merit further experimental validation through steady-state and transient kinetic studies.