Naslov
Algebraic Kekule structures and bond orders in benzenoids

Autori
Sedlar, Jelena ; Anđelić, Ivana ; Vukičević, Damir ; Grovac, Ante ; Gutman, Ivan

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

Izvornik
Book of Abstracts MATH/CHEM/COMP 2005 / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2005

Skup
MATH/CHEM/COMP 2005- The 20th Dubrovnik International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Scineces

Mjesto i datum
Dubrovnik, Hrvatska, 20.06.2005. - 25.06.2005

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
Kekule structures; algabraic structures; geometrical structures; Randić numbers

Sažetak
Recently, a new interpretation of the Kekulé structures (KS) in benzenoid systems was proposed. A new quantity, Algebraic Kekulé Structure (AKS), that counts how many  electrons for a given KS belong to each hexagon has been defined [1]. In this way a possibility to characterize hexagons numerically was offered for the first time. By knowing the AKS for all Kekulé structures gives us a chance to define a new, AKS bond order [2]. This new order is compared with the classical Pauling bond order and experimentally measured bond lengths in a series of benzenoid systems. Preliminary results show that both bond orders are approximately of the same quality.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija

POVEZANOST RADA