Synthesis of the microspheric cocrystal CL-20/2, 4-DNI with high energy and low sensitivity by a spray-drying process. (30th October 2019)

• Record Type: Journal Article
• Authors: Liu, Jianchao; Yan, Zhenzhan; Chi, Dianpeng; Yang, Li
• Is Part Of: New journal of chemistry. Volume 43:Number 44(2019)
• Page Start: 17390
• Page End: 17394
• Publication Date: 2019-10-30
• Subjects: Chemistry -- Periodicals; Chimie -- Périodiques; 540
• DOI: 10.1039/c9nj04731j
• Languages: English
• ISSNs: 1144-0546

Abstract

Abstract : A novel microspheric cocrystal consists of a 1 : 1 molar ratio of CL-20 and 2, 4-DNI was synthesized by a spray-drying process, utilizing our self-developed equipment which is more economic, productive and green. Abstract : A novel microspheric cocrystal consisting of a 1 : 1 molar ratio of 2, 4, 6, 8, 10, 12-hexanitro-2, 4, 6, 8, 10, 12-hexaazaisowurtzitane (CL-20) and 2, 4-dinitroimidazole (2, 4-DNI) was synthesized by a spray-drying process utilizing our self-developed equipment, which is economical, productive and green. The yield of CL-20/2, 4-DNI was 97.65%, far above other spray-drying methods. The structure of the cocrystal and its intermolecular interactions were calculated by Materials Studio program; the cocrystal CL-20/2, 4-DNI was most likely to crystallize in P 21/ C group, and density of states analysis confirms that C–H⋯O interactions were the main force in forming the cocrystal. PXRD combined with DSC and FT-IR results also confirm the cocrystal CL-20/2, 4-DNI. The PXRD measurements show that CL-20/2, 4-DNI has a new crystal phase, which indicates that the cocrystal, rather than physical mixture, was formed, and the IR spectra gives supplementary confirmation for the existence of C–H⋯O bonds between CL-20 and 2, 4-DNI. The DSC shows the thermal decomposition peak temperature of 257.2 °C, which suggests that the microspheric CL-20/2, 4-DNI has good thermal stability. Moreover, the SEM results show that microspheric CL-20/2, 4-DNI cocrystals with D 50 of 518.25 nm were prepared, and the cocrystal exhibits surprisingly low sensitivity, up to 60.4 cm, in impact drop tests. The predicted detonation velocity of CL-20/2, 4-DNI is 9324 m s −1 higher than that of HMX. CL-20/2, 4-DNI is a promising explosive that can be applied in weapons.