Host-Guest Energetic Materials : A Possible Combination between LiN5 and 12-Crown-4

Abstract

Abstract Attempts are made to gain possible host-guest energetic materials of LiN5 and 12-crown-4. The cyclo-N5 − ring breaks up into N3 − duing the experiment and we finally achieved the combination between LiN3 and 12-crown-4, which was confirmed by single-crystal X-ray diffraction. The experimental results are further explained by theoretical calculations. More importantly, a new strategy, through size matching between crown ether compounds and metallic cyclo-N5 − compounds to get the combination, is presented for trapping of pentazolate rings in this paper.