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Engineering the Frontier Orbitals of a Diazadiborinine for Facile Activation of H2, NH3, and an Isonitrile
Y. Su, Y. Li, , R. Kinjo
Published in Wiley-VCH Verlag
PMID: 29704290
Volume: 57
Issue: 26
Pages: 7846 - 7849
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-diazadiborinine readily cleaves the H−H bond of dihydrogen and an N−H bond of ammonia under mild conditions. Moreover, it reacts with 2,6-dimethylphenylisonitrile in a [4+1] cycloaddition at room temperature. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
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