Premium
Unprecedented Change of the Jahn−Teller Axis in a Centrosymmetric Cu II Complex Induced by Lattice Water Molecules − Crystal and Molecular Structures of Bis[bis(3,5‐dimethylpyrazol‐1‐yl)acetato]copper( II ) and Its Dihydrate
Author(s) -
Kozlevčar Bojan,
Gamez Patrick,
de Gelder René,
Driessen Willem L.,
Reedijk Jan
Publication year - 2003
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200390005
Subject(s) - chemistry , crystallography , octahedron , coordination sphere , crystal structure , molecule , ligand (biochemistry) , carboxylate , electron paramagnetic resonance , copper , stereochemistry , octahedral molecular geometry , nuclear magnetic resonance , biochemistry , receptor , physics , organic chemistry
Two copper coordination compounds with the tridentate (NON) ligand bis(3,5‐dimethylpyrazol‐1‐yl)acetic acid (Hbdmpza) are reported. The central coordination sphere in both compounds is fulfilled by two ligands in [CuL 2 ]. The ligands are centrosymmetrically oriented around the copper ion, thus forming a trans ‐CuN 4 O 2 elongated octahedral chromophore. The atoms in both compounds are not positioned at the same places in the Jahn−Teller‐distorted octahedral environment. For compound [CuL 2 ] ( 1 ) two nitrogen atoms are located on the longer axis [Cu−N: 2.438(2) Å], while the other two nitrogen atoms [Cu−N: 2.006(2) Å] and the two oxygen atoms [Cu−O: 1.983(2) Å] form the basal plane of the octahedron. The coordination sphere for [CuL 2 ]·2H 2 O ( 2 ) is composed of four nitrogen atoms [Cu−N: 2.013(3), 2.038(2) Å] that form the basal plane, while the two oxygen atoms are at a longer distance [Cu−O: 2.293(2) Å]. The water molecules in 2 are hydrogen bonded to the non‐coordinated carboxylate oxygen atoms, forming bridges between two neighbouring monomeric units and leading to an infinite chain. Significant differences are observed for both compounds by spectroscopic investigations (EPR, IR, ligand field). (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)