揭示两种具有可调反芳香性的茚并二氮杂咔唑异构体。
Unveiling two antiaromatic -indacenodicarbazole isomers with tunable paratropicity.
作者信息
Saha Hemonta Kumar, Mallick Dibyendu, Das Soumyajit
机构信息
Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar, Punjab, 140001, India.
Department of Chemistry, Presidency University, Kolkata, 700073, India.
出版信息
Chem Commun (Camb). 2022 Jul 28;58(61):8492-8495. doi: 10.1039/d2cc02318k.
Linear and curved antiaromatic -indacenodicarbazole isomers were synthesized and characterized to show the tunable paratropicity of -indacene, as analyzed by NICS(1) and ACID (ring-current) calculations. The curved isomer showed a greater degree of antiaromaticity than the linear isomer, as predicted by the Glidewell-Lloyd rule. This degree of antiaromaticity was further validated by the red-shifted UV-vis absorption and smaller HOMO-LUMO energy gap.
合成并表征了线性和弯曲的反芳香性茚并二氮杂咔唑异构体，以显示茚并二烯的可调节的反磁性，通过NICS(1)和ACID（环电流）计算进行分析。如Glidewell-Lloyd规则所预测，弯曲异构体比线性异构体表现出更大程度的反芳香性。这种反芳香性程度通过红移的紫外-可见吸收和较小的HOMO-LUMO能隙得到进一步验证。
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