《Table 2 Properties of 1 and 2 and comparison with TNT, RDX, and HMX》

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《多齿五唑N_5~-的自组装纳米含能配位聚合物（英文）》

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a) Recalculated from low-temperature X-ray densities（ρ=ρT/ （1+αV (298–T0）） ；αV=1.5×10-4K-1) .b) Nitrogen content.c) Oxygen balance.d) Calculated heat of formation.e) Thermal decomposition temperature（onset）under nitrogen gas（DSC，5°C min-1）.f)

Heat of detonation（Q），detonation velocity（D），and detonation pressure（P）are pivotal parameters for energetic CPs.On the basis of the largest exothermic principle proposed by Kamlet-Jacobs（K–J）[37]，We employed a widely used empirical method[38，39]proposed by Pang and coworkers[40]to investigate the detonation properties of metal-containing energetic CPs.The detonation reactions of CP 1 and 2 are described by Equation S5，6，and the detonation properties are calculated by K–J equations（see Supporting Information）.As shown in Table 2，the nitrogen contents（>66%）and heats of formation（>800 k J mol-1）for the two CPs are much higher than those of the traditional energetic materials（TNT，RDX，and HMX）.But only the heat of detonation for CP 2（1.65 kcal g-1）is higher than those of TNT，RDX，HMX，and CL-20（about 1.5 kcal g-1）.The D and P of CP2 are calculated to be 7，863 m s-1and 26.44 GPa，respectively，which are slightly higher than TNT.The poor detonation performance of CP 1 is attributed to their low density（<1.3 g cm-3）caused by porous structure.From another point of view，this porous structure may hold other small energetic materials and improve the energetic performance.