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Updated: Oct 3, 2026

Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks (MOFs)
Published on: January 17, 2020
Variation in the Mode of Coordination of Aryl Sulfonates to Zirconocene in the Solid State
Nicola S. Hüsgen1, Gerrit A. Luinstra, Frank Schaper
1Department of Chemistry, University of Konstanz, Fach M738, D-78457 Konstanz, Germany.
Abstract:
The solid-state structures of three zirconocene aryl sulfonates were determined. In Cp(2)Zr(OSO(2)C(6)H(5))(2) (1), one of the sulfonate ligands is monodentate, the other bidentate coordinated. Cp(2)Zr(OSO(2)-4-C(6)H(4)Cl)(2) (2) and Cp(2)Zr(OSO(2)-3,4-C(6)H(3)Cl(2))(2) (3) are dimers of pentacoordinated zirconocenes with two monodentate sulfonates and a double bridge of &mgr;-O,&mgr;-O'-sulfonates. A possible explanation for the formation of the solid-state structures is offered in terms of differences in electron density of the sulfonate oxygen atoms. 1: C(22)H(20)O(6)S(2)Zr, a = 8.062(2) Å, b = 14.502(3) Å, c = 19.623(4) Å, alpha = 90.91(1) degrees, beta = 101.78(1) degrees, gamma = 106.00(2) degrees, triclinic, P&onemacr;, Z = 4. 2: C(22)H(18)Cl(2)O(6)S(2)Zr, a = 7.9669(8) Å, b = 11.0816(12) Å, c = 13.4056(10) Å, alpha = 79.944(7) degrees, beta = 75.009(7) degrees, gamma = 84.647(9) degrees, triclinic, P&onemacr;, Z = 2. 3: C(22)H(16)Cl(4)O(6)S(2)Zr, a = 7.7574(7) Å, b = 12.1124(12) Å, c = 13.4613(11) Å, alpha = 85.343(7) degrees, beta = 76.653(6) degrees, gamma = 79.880(8) degrees, triclinic, P&onemacr;, Z = 2.
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