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Tris(pyrazolyl)methane Sulfonate Complexes of Iridium: Catalytic Hydrogenation of 3,3-Dimethyl-1-butene

Nagaraja, CM and Nethaji, Munirathinam and Jagirdar, Balaji R (2007) Tris(pyrazolyl)methane Sulfonate Complexes of Iridium: Catalytic Hydrogenation of 3,3-Dimethyl-1-butene. In: Organometallics, 26 (25). pp. 6307-6311.

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Official URL: http://pubs.acs.org/cgi-bin/article.cgi/orgnd7/200...

Abstract

The synthesis and characterization of three new iridium complexes bearing a tris(pyrazolyl)methane sulfonate ligand of the type $[Ir(Tpms)(LL^{\prime})_2]$ $(L, L^{\prime} = C_2H_4 1; L = C_2H_4,$ $L^{\prime} = PPh_3 2; L (H)_2,$ $L^{\prime} = PPh_3 3$; Tpms = tris(pyrazolyl)methane sulfonate) have been carried out. Complex 3 catalyzes the hydrogenation of the sterically crowded 3,3-dimethyl-1-butene to 2,2-dimethylbutane under mild conditions. The mechanism of the hydrogenation reaction has been studied using the model complex $[Ir(H)_2(Tpms)-(PH_3)]$ (3a) by computational methods at the B3LYP/LANL2DZ level. Hydrogenation of ethylene to ethane by the model complex is exothermic by -27.1 kcal/mol.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to American Chemical Society.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 12 Sep 2008 06:18
Last Modified: 19 Sep 2010 04:49
URI: http://eprints.iisc.ernet.in/id/eprint/15715

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