0D Cu(II) and 1D mixed-valence Cu(I)/Cu(II) coordination compounds based on mixed ligands: Syntheses, structures and catalytic thermal decomposition for HMX

Two new mixed-ligands coordination compounds Cu(Hatrz)(pda)(H2O) · H2O (1) and Cu(I)Cu(II)(atrz)(pda)(H2O) (2) (Hatrz = 3-amino-1,2,4-triazole, H2pda = pyridine-2,6-dicarboxylic acid) have been synthesized and characterized by elemental analyses, IR, XPS, single crystal X-ray diffraction and thermogravimetric analyses. Crystal structures reveal that 1 presents a zero-dimensional unit, while 2 exhibits a one-dimensional structure constructed by mixed-valence helical chain. Furthermore, the catalytic performance of compounds for the thermal decomposition of HMX (Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) was investigated by DSC.

Two copper compounds based on mixed ligands with 0D and 1D mixed-valence helical chain have been synthesized and characterized. DSC analyses revealed that both compounds accelerated the thermal decomposition of HMX and compound 2 was better than 1.Figure optionsDownload as PowerPoint slideHighlights
► We report two copper compounds with 0D unit and 1D mixed-valence helical chain.
► Both compounds accelerate the thermal decomposition of HMX.
► Compound 2 shows better performance on thermal decomposition of HMX than 1.