Premium
Engineering the Frontier Orbitals of a Diazadiborinine for Facile Activation of H 2 , NH 3 , and an Isonitrile
Author(s) -
Su Yuanting,
Li Yongxin,
Ganguly Rakesh,
Kinjo Rei
Publication year - 2018
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201803938
Subject(s) - reactivity (psychology) , cycloaddition , atomic orbital , chemistry , homo/lumo , molecule , molecular orbital , ammonia , computational chemistry , electron , photochemistry , organic chemistry , catalysis , physics , medicine , alternative medicine , pathology , quantum mechanics
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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom