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Analysis of the coordination geometry in copper complexes

Ramakrishnan, C and Geetha, YS (1990) Analysis of the coordination geometry in copper complexes. In: Proceedings of Indian Academy of Sciences, Chemical Sciences, 102 (4). pp. 481-496.


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Geometrical parameters assocd. with a metal coordinated system have been analyzed using data from 75 structures of copper complexes involving 370 coordination bonds. Coordination bond length and coordination bond angle, and deviation of the metal atom from the plane of equatorial ligand atoms have been analyzed in detail for both oxygen and nitrogen ligand atoms. At the ligand end, the parameters defined closely follow that of the hydrogen bonded system and are related to the lone pair orbital directions. For oxygen ligands, the axial bond lengths are distinctly longer than the equatorial ones in octahedral (OCT) and square pyramidal (PY) geometries. The situation is reversed for trigonal bipyramidal (TBP) geometry with nitrogen ligands. The coordination bond angle involving axial atoms varies between 130 and 180° for the OCT case and 170 and 180° for TBP geometry. The metal atoms lies very nearly in the quatorial plane in TBP, while it deviates significantly in others. The extent of deviation can be explained qual. with the pull of the metal atom by the axial atoms. The distribution of the ligand end parameters indicate that the bond direction strongly tends to cling to the assocd. orbital. When the ligand atom has two orbitals, the influence of the non-assocd. orbital is not significant and is far less compared to hydrogen bonding.

Item Type: Journal Article
Publication: Proceedings of Indian Academy of Sciences, Chemical Sciences
Publisher: Indian Academy of Sciences
Additional Information: Copyright of this article belongs to Indian Academy of Sciences
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 18 Feb 2008
Last Modified: 19 Sep 2010 04:41
URI: http://eprints.iisc.ac.in/id/eprint/12680

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