Fig. 3: Structural characterizations and hydrogenation of alkenes. | Nature Communications

Fig. 3: Structural characterizations and hydrogenation of alkenes.

From: Catalytic hydrogenation of olefins by a multifunctional molybdenum-sulfur complex

Fig. 3

Crystal structures of a 1-C2H2, b 2, c 3, and d 4 with the thermal ellipsoids shown at 50% probability level. For clarity, the portions of the molecules are shown in the wireframe and stick style, while the BArF4 anion and all hydrogen atoms on the Cp* and aromatic rings are omitted. Selected bond distances (Å) and angles (deg): for 1-C2H2, Mo−S 2.3565(6); Mo−P 2.4523(6); Mo−C1 2.050(3); Mo−C2 2.018(3); C1 − C2 1.297(4); H − C1 − C2 145.0(3); H − C2 − C1 143.6(3); for 2, Mo−S 2.4183(7); Mo−P 2.4904(7); Mo−N 2.274(2); Mo−C1 2.181(3); Mo−C2 2.241(3); C1−C2 1.419(4); for 3, Mo−P 2.5490(9); Mo−C7 2.097(4); Mo−C8 2.044(4); Mo−C9 2.122(4); Mo−C10 2.065(4); C7 − C8 1.253(6); C9 − C10 1.285(6); for 4, Mo−S, 2.3977(16); Mo−P 2.459(3); C1 − C2 1.520(12). e Structural characterization of 4 by 1H–1H COSY. f Time-course of ethylbenzene production in styrene hydrogenation with H2 and D2 catalyzed by 2 (2 mol%). g Hammet plot for the hydrogenation of para-substituted styrenes.

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