Naslov
Theoretical analysis of apical bonding in copper(II) chelates with amino acids

Autori
Miličević, Ante ; Raos, Nenad

Izvornik
Journal of applied crystallography (0021-8898) 42 (2009), 5; 793-797

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
sterical crowding ; coordination polyhedron ; overlapping spheres

Sažetak
The interdependence between the side of apical coordination (H2O, >C=O, DMSO and Cl–) and sterical crowding at the apical positions was investigated on a set of 20 copper(II) bis- complexes with naturally occuring amino acids. As a measure of sterical crowding the overlapping volumes, V*, were used, calculated by the modified overlapping spheres (OS) method. It was found that the apically coordinated side of a complex is more hindered by the side chain atoms. Also, if both sides are apically coordinated, the apical bond is shorter at more crowded side. We also studied the interdependence between length of the apical bond and distortion of the coordination polyhedron. The apical bond length shows sigmoidal dependence on the magnitude of distortion, and is also dependent on the kind of distortion (square-pyramidal or tetrahedral).

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA