卟啉
硼
接受者
铜
化学
分子轨道
Crystal(编程语言)
结晶学
光化学
分子
有机化学
物理
计算机科学
凝聚态物理
程序设计语言
作者
Yu Dong,Hirofumi Morimoto,Xiaojuan Lv,X. H. Mo,Feng Chen,Fan Wu,Naoki Aratani,Fengxian Qiu,Songlin Xue
标识
DOI:10.1021/acs.joc.3c02294
摘要
Novel hybrid porphyrin(2.1.2.1)s and their boron and copper complexes were synthesized using the “toy bricks” synthetic method. Crystal data, frontier molecular orbital calculations, and electrostatic potential surface maps reveal that hybridization in the porphyrin(2.1.2.1) donor–acceptor unit controls the selective coordination of BF2.
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