Fig. 7: Gibbs free energy diagram (in kcal mol−1, at 298 K, 1 M concentration, and 1 atmosphere pressure) for the Mo-catalyzed hydrogenation of styrene.
From: Catalytic hydrogenation of olefins by a multifunctional molybdenum-sulfur complex
Blue path: H2 activation precedes olefin coordination. Red path: olefin coordination precedes H2 activation. For computational details, see Supplementary Information.
