Three novel mono BN substituted derivatives (PDI-BN1, PDI-BN2 and PDI-BN3) of symmetrical and asymmetrical perylene diimides were designed and efficiently synthesised using a concise synthetic strategy. These derivatives exhibited orange fluorescence, with their properties finely adjustable by integrating various fused aryl rings. Except for F− ions, these derivatives have shown no affinity for other anions. (Image credit: Feng Liu.)

Australian Journal of Chemistry
Volume 78 Number 3 2025
This review underscores the pivotal role of high-level composite wavefunction methods in revolutionising the construction of highly accurate thermochemical databases. These breakthroughs are critical for generating large-scale thermochemical datasets, which are crucial for advancing density functional theory (DFT) methods and improving machine-learning models to enable more reliable chemical predictions. (Image credit: A. Karton.)
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