Engineering the frontier orbitals of a diazadiborinine for facile activation of H2, NH3, and an isonitrile

• Main Authors: Su, Yuanting, Li, Yongxin, Ganguly, Rakesh, Kinjo, Rei
• Other Authors: School of Physical and Mathematical Sciences
• Format: Article
• Language: English
• Published: 2020
• Subjects: Science::Chemistry; Boron; Electronic Structure
• Online Access: https://hdl.handle.net/10356/137706
• Institution: Nanyang Technological University

An annulated 1,3,2,5‐diazadiborinine with 14 π electrons has been synthesized and fully characterized. Experimental and computational studies revealed that this compound features a rather small HOMO–LUMO gap, which leads to enhanced reactivity towards small molecules. Thus, the 1,3,2,5‐diazadiborini...