Naslov
An algorithm for systematic determination of coordination polyhedra

Autori
Vicković, Ivan ; Bruckler, Franka Miriam ; Đaković, Marijana

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
The twentieth Croatian-Slovenian crystallographic meeting - CSCM20 : Book of Abstracts / - Zagreb, 2011, 30-30

Skup
The twentieth Croatian-Slovenian crystallographic meeting - CSCM20

Mjesto i datum
Baška, Hrvatska, 15.06.2011. - 19.06.2011

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
coordination numbers ; coordination polyhedra ; algorithm

Sažetak
Originally defined by Werner1 in 1893, and modified by Pfeiffer in 1927, the concept of coordination number is applied both in transition- metal (d-block) and inner-transition-metal (f- block) complexes. The modified definition of the coordination number allows two linked atoms to occupy a single coordination site. The coordination number is closely related to a number of physical and chemical properties like atomic radius and chemical reactivity, or molecular and electronic structure. The choice of the best coordination polyhedron in a given chemical structure is often complicated in view of the large number of distinct polyhedra even with a few as five, six or seven vertices. Higher coordination numbers arise dilemas offering even more distinct polyhedra, frequently distorted. Coordination polyhedra that usually appear in metal complexes are summarized and an algorithm for their determination from crystal data is suggested. We shall present the algorithm for structures with coordination number up to 7.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

POVEZANOST RADA