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Singlet/Triplet State Anti/Aromaticity of CyclopentadienylCation: Sensitivity to Substituent Effect

It is well known that singlet state aromaticity is quite insensitive to substituent effects, in the case of monosubstitution. In this work, we use density functional theory (DFT) calculations to examine the sensitivity of triplet state aromaticity to substituent effects. For this purpose, we chose t...

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Bibliografiske detaljer
Principais autores: Milovan Stojanović, Jovana Aleksić, Marija Baranac-Stojanović
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2021-07-01
Serier:Chemistry
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Online adgang:https://www.mdpi.com/2624-8549/3/3/55
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