Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten−Ruthenium Dinuclear Complexes

Abstract
A series of sulfido-bridged tungsten−ruthenium dinuclear complexes Cp*W(μ-S)3RuX(PPh3)2 (4a; X = Cl, 4b; X = H), Cp*W(O)(μ-S)2RuX(PPh3)2 (5a; X = Cl, 5b; X = H), and Cp*W(NPh)(μ-S)2RuX(PPh3)2 (6a; X = Cl, 6b; X = H) have been synthesized by the reactions of (PPh4)[Cp*W(S)3] (1), (PPh4)[Cp*W(O)(S)2] (2), and (PPh4)[Cp*W(NPh)(S)2] (3), with RuClX(PPh3)3 (X = Cl, H). The heterolytic cleavage of H2 was found to proceed at room temperature upon treating 5a and 6a with NaBArF4 (ArF = 3, 5-C6H3(CF3)2) under atmospheric pressure of H2, which gave rise to [Cp*W(OH)(μ-S)2RuH(PPh3)2](BArF4) (7a) and [Cp*W(NHPh)(μ-S)2RuH(PPh3)2](BArF4) (8), respectively. When Cp*W(O)(μ-S)2Ru(PPh3)2H (5b) was treated with a Brφnstead acid, [H(OEt2)2](BArF4) or HOTf, protonation occurred exclusively at the terminal oxide to give [Cp*W(OH)(μ-S)2RuH(PPh3)2](X) (7a; X = BArF4, 7b; X = OTf), while the hydride remained intact. The analogous reaction of Cp*W(μ-S)3Ru(PPh3)2H (4b) led to immediate evolution of H2. Selective deprotonation of the hydroxyl group of 7a or 7b was induced by NEt3 and 4b, generating Cp*W(O)(μ-S)2Ru(PPh3)2H (5b). Evolution of H2 was also observed for the reactions of 7a or 7b with CH3CN to give [Cp*W(O)(μ-S)2Ru(CH3CN)(PPh3)2](X) (11a; X = BArF4, 11b; X = OTf). We examined the H/D exchange reactions of 4b, 5b, and 7a with D2 and CH3OD, and found that facile H/D scrambling over the W−OH and Ru−H sites occurred for 7a. Based on these experimental results, the mechanism of the heterolytic H2 activation and the reverse H2 evolution reactions are discussed.

This publication has 72 references indexed in Scilit: