Six new complexes constructed from silver(I) and 2-(dinitromethylene)-1,3-diazacyclopentane (DNDZ): Synthesis, crystal structure and properties

摘要

Six different energetic silver complexes of 2-(dinitromethylene)-1,3-diazacyclopentane (DNDZ), Ag(DNDZ) (1), [Ag-2(H2O)(DNDZ)](n) (2), Ag(NH3)DNDZ (3), Ag(CH3NH2)(DNDZ) (4), Ag(C2H5NH2)(DNDZ) (5) and Ag(C3H7NH2)(DNDZ) (6), were first synthesized and structurally characterized. Complexes 2, 3, 5 and 6 were characterized by the single crystal X-ray diffraction analysis. Complexes 2, 5 and 6 crystallize in the monoclinic crystal system with space group P2(1)/n containing four molecules per unit cell, but the crystal of complex 3 is triclinic with space group P-1 containing two molecules in each unit cell. Complexes 2 and 3 possess Ag center dot center dot center dot Ag interaction and corresponding central symmetric structure, but complexes 5 and 6 do not. Thermal behaviors of complexes 1-6 were determined and analyzed. The order of thermal stability for the six complexes is 4 3 1 2 5 6. Impact sensitivities for complexes 1-6 are 12 J, 4J, 13 J, 16 J, 81 and 7 J respectively, which corresponds well to the results of thermal stability for the six complexes except for complex 2. Moreover, natural bond orbital (NBO) analysis was used to investigate the bonding and hybridization of complex 3. (C) 2018 Elsevier B.V. All rights reserved.