二苯并环庚三烯作为 Thiele 和四苯并奇甲宾类碳氢化合物的端基。
Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons.
机构信息
Department of Organic Chemistry, Unidad de Excelencia de Química aplicada a Biomedicina y Medio Ambiente, University of Granada (UGR), C. U. Fuentenueva, Granada 18071, Spain.
出版信息
Chem Commun (Camb). 2020 Oct 28;56(84):12813-12816. doi: 10.1039/d0cc04489j. Epub 2020 Sep 23.
Thiele (Th) and tetrabenzo-Chichibabin (TBC) derivatives with terminal dibenzocycloheptatriene (DBHept) units were prepared. A clear correlation between their electronic and molecular structures was stablished. Insights into their closed- or open-shell ground states were gained, where particular contribution of the heptagonal carbocycles as end-groups was proved. Remarkably, a thermally accessible triplet diradical configuration was confirmed for the DBHept-TBC compound.
制备了具有末端二苯并环庚三烯（DBHept）单元的 Thiele（Th）和四苯并 Chichibabin（TBC）衍生物。确定了它们的电子和分子结构之间的明显相关性。深入了解了它们的闭壳或开壳基态，证明了七元碳环作为端基的特殊贡献。值得注意的是，证实了 DBHept-TBC 化合物中热可及的三重态自由基构型。
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