Physics NotePublished
Graphical Linking of MO Multicenter Bond Index and VB Structures. II - 5-c Rings and 6-c Heterocyclic Rings
Carlos Guido Bollini; Mario Giambiagi; Myriam Segre de Giambiagi; Aloysio Paiva de Figueiredo
2001
Publication details
- Authors
- Carlos Guido Bollini; Mario Giambiagi; Myriam Segre de Giambiagi; Aloysio Paiva de Figueiredo
- Type
- Physics Note
- Status
- Published
- Publication date
- 2001
- Description
- 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 <math> I_{ring}\,\!</math> values.
- Year
- 2001
- Number
- CBPF-NF-009/01
- Linked to a thesis
- No
- Linked to a grant
- No