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Part 1. Wertz MethodWertz's method is essentially composed of two steps. Two thermodynamic cycles are constructed. In the first step, the entropy change from gas state (standard state, S g˚ = 0.308 kJ mol -1 K -1 ) to liquid state (S l˚ = 0.208 kJ mol -1 K -1 ) DCE is decomposed to two steps: (i) adiabatic compression of ideal DCE gas in standard state to a hypothetical ideal gas state with the concentration equal to that of the liquid state (12.66 M); and (ii) conversion of the hypothetical state to the final liquid state. (Scheme S1) Scheme S1.The entropy change of the first step can be estimated according to Maxwell's relations, while that of the second step can be derived from the thermodynamic cycle. The fraction of entropy lost in second step is defined as a coefficient, a, which was calculated to be 0.202.

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alkane functionalization ͉ COH activation ͉ catalysis ͉ organometallic chemistry