Computational Study of Electron Delocalization in Hexaarylbenzenes
نویسندگان
چکیده
منابع مشابه
Computational study of electron delocalization in hexaarylbenzenes.
A number of hexaarylbenzene compounds were studied theoretically, in order to compare energy changes as a result of the toroidal delocalization effect that is characteristic of all these species. The energy was studied taking advantage of locally designed isodesmic reactions. Results indicate that the amount of aromaticity manifested by each substituent is a factor that should be considered whe...
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ژورنال
عنوان ژورنال: Molecules
سال: 2014
ISSN: 1420-3049
DOI: 10.3390/molecules19033274