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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 set 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 they are more than three. For 5-c rings three basic structures are required; the eventually different values...

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Detalles Bibliográficos
Autores principales: Bollini, C G, Figueiredo, A P D, Giambiagi, M
Lenguaje:eng
Publicado: 2001
Materias:
Acceso en línea:http://cds.cern.ch/record/747888
Descripción
Sumario:Through the graphical method proposed it is possible to set 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 they 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 I sub r sub i sub n sub g values.