Aromaticity in Substituted [2,2]Paracyclophane: A Density Functional Study

阅读量:

27

作者:

NormaMirelesLuisEnriqueSansoresRobertoSalcedo

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摘要:

Inductive effect in the aromatic moieties of [2,2]paracyclophane is theoretically analyzed with the density functional theory. The inclusion of different substituents in one of the moieties seems to affect the behaviour of the other. The nature of activating or deactivating groups as substituents reflect known facts on electrophilic aromatic substitutions derived from the inductive effects. The interesting feature in this case is that the phenomenon is transfered from the substituted deck to the other via transannular effects. The strain suffered by the cyclophane molecule is also analyzed.

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DOI:

10.1142/S0219633603000422

被引量:

6

年份:

2003

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