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Temperature Dependence of the Crystal Structure and g-Values of [(HC(Ph2PO)3)2Cu](ClO4)22H2O: Influence of Dynamic Jahn-Teller Coupling and Lattice Strain Interactions

Citation

Simmons, CJ and Stratemeier, H and Hanson, GR and Hitchman, MA, Temperature Dependence of the Crystal Structure and g-Values of [(HC(Ph2PO)3)2Cu](ClO4)2 2H2O: Influence of Dynamic Jahn-Teller Coupling and Lattice Strain Interactions, Inorganic Chemistry, 44, (8) pp. 2753-2760. ISSN 0020-1669 (2005) [Refereed Article]

DOI: doi:10.1021/ic048604h

Abstract

The temperature dependence of the X-ray crystal structure and powder EPR spectrum of [(HC(Ph2PO)3)2Cu]-(ClO 4)2·2H2O is reported, and the structure at room temperature confirms that reported previously. Below ∼100 K, the data imply a geometry with near elongated tetragonal symmetry for the [(HC(Ph2PO)3)2Cu]2+ complex, but on warming the two higher Cu-O bond lengths and g-values progressively converge, and by 340 K the bond lengths correspond to a compressed tetragonal geometry. The data may be interpreted satisfactorily assuming an equilibrium among the energy levels of a Cu-O6 polyhedron subjected to Jahn-Teller vibronic coupling and a lattice strain. However, agreement with the experiment is obtained only if the orthorhombic component of the lattice strain decreases to a negligible value as the temperature approaches 340 K. © 2005 American Chemical Society.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Inorganic Chemistry
Research Field:Transition Metal Chemistry
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Stratemeier, H (Dr Horst Stratemeier)
Author:Hitchman, MA (Dr Michael Hitchman)
ID Code:38412
Year Published:2005
Web of Science® Times Cited:13
Deposited By:Chemistry
Deposited On:2005-08-01
Last Modified:2006-04-05
Downloads:0

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