How electron delocalization influences the electron-withdrawing properties of isomeric benzobischalcogenadiazolesстатья
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Дата последнего поиска статьи во внешних источниках: 15 февраля 2024 г.
Аннотация:The fermionic potential and delocalization indices for benzobis-1,2,5-chalcogenadiazoles reveal inhomogeneous electrondelocalization in their benzene ring, which results in compactlylocalized lone electron pairs on the chalcogen atoms. Thesefeatures of (de)localization are rooted in a local increase inthe kinetic component of the electron correlation, whichexpresses the Fermi hole variability and the kinetic potentialresponse to electron density variations in the benzene ring ofbenzobis-1,2,5-chalcogenadiazoles. This explains their betterelectron-withdrawing properties compared to benzobis-1,2,3-chalcogenadiazoles.