Graphical Linking of MO Multicenter Bond Index and VB Structures : II- 5-c Rings and 6-c Heterocyclic Rings

Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Bollini, Carlos Guido, Giambiagi, Mario, Segre de Giambiagi, Myriam, Paiva de Figueiredo, Aloysio
Formato: Articulo
Lenguaje:Inglés
Publicado: 2001
Materias:
Física
Ciencias Exactas
MO multicenter bond index
VB structures
5 -c rings
6 -c heterocyclic rings
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/139350
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
Descripción
Sumario:Through the graphical method proposed, it is possible to create a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved, if there are more than three. For 5-c rings, three basic structures are required; the eventually different values are 12. Unlike the 6-c case, it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings, including heteroatoms, the original degeneracy of benzene splits, leading eventually to 60 different Iring values.

Ejemplares similares