Variation in the Mode of Coordination of Aryl Sulfonates to Zirconocene in the Solid State

Nicola S. Hüsgen; Gerrit A. Luinstra; Frank Schaper; Katrin Schmidt

doi:10.1021/ic971597v

Variation in the Mode of Coordination of Aryl Sulfonates to Zirconocene in the Solid State

Inorg Chem. 1998 Jul 13;37(14):3471-3474. doi: 10.1021/ic971597v.

Authors

Nicola S. Hüsgen¹, Gerrit A. Luinstra, Frank Schaper, Katrin Schmidt

Affiliation

¹ Department of Chemistry, University of Konstanz, Fach M738, D-78457 Konstanz, Germany.

PMID: 11670429
DOI: 10.1021/ic971597v

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.