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Front Cover: Tuning the NIR Absorption Properties of 1,3,4,6,9b‐Pentaazaphenalene Derivatives Through the Spatially Separated Frontier Molecular Orbitals (Eur. J. Org. Chem. 7/2020)
Author(s) -
Watanabe Hiroyuki,
Ochi Junki,
Tanaka Kazuo,
Chujo Yoshiki
Publication year - 2020
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.202000101
Subject(s) - substituent , homo/lumo , chemistry , molecular orbital , atomic orbital , photochemistry , computational chemistry , absorption (acoustics) , chemical physics , molecular physics , electron , molecule , stereochemistry , organic chemistry , physics , optics , quantum mechanics
The Front Cover shows selective tuning of the energy level of HOMO or LUMO by the substituent effect. Azaphenalene has a triangular structure with spatially‐separated molecular orbitals between HOMO and LUMO. We demonstrated that only the energy level of one of frontier orbitals can be selectively tuned in azaphenalene. The narrow band gap was realized by simultaneously elevating the HOMO and lowering the LUMO through the substituent effects with electron‐donating and accepting groups, respectively. Finally, light absorption in the near‐infrared region was accomplished. More information can be found in the Full Paper by K. Tanaka et al.