Department of Chemistry, University of Akron, Akron, Ohio 44312-3601, United States.
Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, United States.
Org Lett. 2021 Feb 5;23(3):1076-1080. doi: 10.1021/acs.orglett.0c04291. Epub 2021 Jan 22.
The direct borylation of two bis(pyrazolylimino)isoindoline chelates with BF and base under dry conditions results in the formation of two boron adducts. These are ring-contracted analogs of biliazine and can be considered as subbiliazines, as they have bowl-shaped structures similar to subphthalocyanine. Additionally, a new iminooxoisoindoline BF complex was made from hydrolysis of the free base in the presence ofBF. The electronic structures of the free bases and subbiliazines were probed by density functional theory (DFT) and time-dependent DFT (TDDFT) methods.
两个双（吡唑基亚氨基）异吲哚螯合物在干燥条件下与 BF 和碱直接硼化，生成两个硼加合物。这些是双嗪的环缩合类似物，可以被认为是亚双嗪，因为它们具有类似于次酞菁的碗状结构。此外，在 BF 的存在下，通过水解游离碱得到了一个新的亚氨基氧异吲哚 BF 配合物。通过密度泛函理论（DFT）和含时密度泛函理论（TDDFT）方法研究了游离碱和亚双嗪的电子结构。
