Abstract
The method of isotopic substitution in time-of-flight neutron diffraction is used to measure the coordination environment of Cu2+ in a 2-180(2) molal solution of Cu(CF3SO3)2 in fully deuterated ethylene glycol (EG). The results show that EG acts as a bidentate ligand to form [Cu(EG)3]2+ tris-chelate complexes. There is strong evidence for Jahn-Teller distortion of the complex which is best represented by a model wherein the octahedron is tetragonally elongated to give a (4 + 2) configuration with 4 oxygen atoms at 1·98 Å and 2 oxygen atoms at 2·26 Å. The cation correlations display intermediate range ordering, having a correlation length of approximately 32 Å, which can be interpreted in terms of an arrangement of the Cu2 + complexes which maximizes their mean separation. A new analysis is made for the results obtained from previous neutron diffraction experiments on a 2·00 molal solution of Cu(ClO4)2 in D2O and a 1·00 molal solution of Cu(NO3)2 in D2O. The [Cu(D2O)6]2 + complex in both solutions comprises a (4 + 2) structural configuration for which the degree of distortion is larger than indicated by the majority of X-ray diffraction and extended X-ray absorption fine structure measurements.
Original language | English |
---|---|
Pages (from-to) | 981-998 |
Number of pages | 18 |
Journal | Molecular Physics |
Volume | 85 |
Issue number | 5 |
DOIs | |
Publication status | Published - 10 Aug 1995 |
Funding
It is a pleasure to thank Dr Alan Soper and Dr Jacky Turner (ISIS) for their help during the SANDALS experiment and Dr Sherilyn Wass of the Isotope Separation Unit at Reading for recovering the copper isotope. The support of the UK Engineering and Physical Sciences Research Council is gratefully acknowledged as is the financial support to S.E.O. of Trakya University (Turkey).
ASJC Scopus subject areas
- Biophysics
- Molecular Biology
- Condensed Matter Physics
- Physical and Theoretical Chemistry