The molecular structure of 5-X-isatines where (X = F, Cl, and Br) determined by gas-phase electron diffraction with theoretical calculationsстатья
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Дата последнего поиска статьи во внешних источниках: 20 декабря 2019 г.
Аннотация:Molecular structures of 5-X-isatines where X = F, Cl, and Br were determined for the first time by gas-phase electron diffraction supported by theoretical calculations.
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Peculiar features of molecular structures were rationalized by NBO analysis.
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Different aromaticity descriptors of benzene moiety of title compounds were calculated by theoretical methods.
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The preferred sites for nucleophilic, electrophilic and radical attack are revealed on the basis of condensed Fukui functions and dual descriptors.