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Interpretation of the temperature dependence of the crystal structure of [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)


Beddard, GS and Halcrow, MA and Hitchman, MA and de Miranda, MP and Simmons, CJ and Stratemeier, H, Interpretation of the temperature dependence of the crystal structure of [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine), Dalton Transactions, 5, (Annual) pp. 1028-1032. ISSN 1477-9226 (2003) [Refereed Article]

DOI: doi:10.1039/b211491g


The temperature dependence of the bond lengths in the high temperature phase of [Cu(L) 2 ][BF 4 ] 2  (L = 2,6-dipyrazol-1-ylpyridine) may be interpreted satisfactorily using a model of dynamic, Jahn"Teller (JT) vibronic coupling. The geometries of the three complexes in the asymmetric unit of the low temperature phase may be reproduced using parameters similar to those of the high temperature phase, but with significantly larger orthorhombic components of the strain interactions. The axial components of the strain for all the complexes in both phases are negative in sign and large in magnitude, and this is thought to reflect both the stronger σ-bonding power of pyridine compared with pyrazole and physical constraints of the amine ligand. A previous interpretation of the thermal behaviour of the high temperature phase in terms of a conformational equilibrium is re-evaluated. © 2003 The Royal Society of Chemistry.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Inorganic chemistry
Research Field:Inorganic chemistry not elsewhere classified
Objective Division:Expanding Knowledge
Objective Group:Expanding knowledge
Objective Field:Expanding knowledge in the chemical sciences
UTAS Author:Hitchman, MA (Dr Michael Hitchman)
UTAS Author:Stratemeier, H (Dr Horst Stratemeier)
ID Code:27311
Year Published:2003
Web of Science® Times Cited:16
Deposited By:Chemistry
Deposited On:2003-08-01
Last Modified:2010-06-04

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