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The shapes of the copper(II) coordination polyhedra: an attempt at a comparison (CROSBI ID 252974)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Sabolović, Jasmina ; Raos, Nenad The shapes of the copper(II) coordination polyhedra: an attempt at a comparison // Journal of molecular structure. Theochem, 281 (1993), 2-3; 101-105. doi: 10.1016/0166-1280(93)87066-m

Podaci o odgovornosti

Sabolović, Jasmina ; Raos, Nenad

engleski

The shapes of the copper(II) coordination polyhedra: an attempt at a comparison

The shape of the coordination polyhedron in seven distorted structures of copper(II) chelates with naturally occurring amino acids and their N-alkylated derivatives was analysed by means of two methods: (1) the coordination polyhedron was described as a vector sum of all (four) bond vectors within the framework of spherical coordinates ; (2) the coordination polyhedron was presented within the framework of angles around copper. Copper coordination can be described as being square planar with tetrahedral/pyramidal distortion. A comparison of the crystal and theoretical (molecular mechanics) structures revealed that the best agreement was obtained with the molecular mechanics model based on coulombic interactions in the first coordination sphere.

copper(II) coordination geometry ; electrostatic model ; amino acids ; planar ; tetrahedral ; pyramidal

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Podaci o izdanju

281 (2-3)

1993.

101-105

objavljeno

0166-1280

1872-7999

10.1016/0166-1280(93)87066-m

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