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3, the methyl group of the propene ligand is oriented away from the rhodiumbound methyl group in the most stable isomer. For the complex in which X = NH or OH, the methyl group of the propene ligand is oriented away from the rhodium-bound X group in the most stable isomer. The relative energies in Scheme 3 are reported in the lowest energy form of the propene complexes in each case. The higher energy olefin complexes lie 1.3-2.0 kcal/mol higher in enthalpy and 1.2-1.9 kcal/mol higher in free energy.
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