Tetrazole-based nitrogen-rich compounds are energetic materials due to their high enthalpy of formation,high density and easy to achieve balance of oxygen.5-nitraminotetrazolate(5-NATZ) has been proved to possess exce...Tetrazole-based nitrogen-rich compounds are energetic materials due to their high enthalpy of formation,high density and easy to achieve balance of oxygen.5-nitraminotetrazolate(5-NATZ) has been proved to possess excellent energetic properties among the simple tetrazole compounds and its metal complexes were thought to be promising energetic materials.In this paper,a novel nitrogen-rich energetic compound of Zn(5-NATZ)2(H2O)4 was synthesized and determined by X-ray single crystal diffraction technology.展开更多
The macrocyclic ligand(L) and its dinuclear copper(Ⅱ) and zinc(Ⅱ) complexes have been synthesized. The crystal structure of [Cu 2L(Him) 2](ClO 4) 4·2H 2O has been determined by single crystal X ray diffraction....The macrocyclic ligand(L) and its dinuclear copper(Ⅱ) and zinc(Ⅱ) complexes have been synthesized. The crystal structure of [Cu 2L(Him) 2](ClO 4) 4·2H 2O has been determined by single crystal X ray diffraction. It crystallizes in a monoclinic system, the space group P2 1/c , a =0.951 2(2) nm, b =2.010 4(4) nm, c =1.202 5(2) nm, β =98.89(3)°, V =2.271 9(8) nm 3, Z=2, D c=1.599 Mg/m 3 , F (000) = 876 , R =0.059 1, wR =0.173 3, GOF(F)=1.009. The copper(Ⅱ) atom is five coordinated with four nitrogen atoms of the macrocyclic ligand and one nitrogen atom of imidazole. The stepwise stability constants of the 1∶1 and 2∶1 molar ratios of Cu to L and Zn to L complexes were determined by potentiometric titration in KCl supporting electrolyte(0.100 mol/L) at 25 ℃. The results indicated that zinc(Ⅱ) ion can form hydroxide bridged dinuclear complex [Zn 2(OH)L] 3+ , while the copper(Ⅱ) ion can only form dinuclear complex 3+ with macrocyclic ligand.展开更多
A tetranuclear Mn(Ⅳ) complex \{\[L\-4Mn\-4O\-6\]\}(ClO\-4)\-4\52H\-2O (L=tacn)was synthesized from Mn(CH\-3COO)\-2\54H\-2O, tacn and NaClO\-4 and characterized by XRD. The compound crystallizes in monoclinic system, ...A tetranuclear Mn(Ⅳ) complex \{\[L\-4Mn\-4O\-6\]\}(ClO\-4)\-4\52H\-2O (L=tacn)was synthesized from Mn(CH\-3COO)\-2\54H\-2O, tacn and NaClO\-4 and characterized by XRD. The compound crystallizes in monoclinic system, space group P2\-1/n , with a =2.133 5(6) nm, b =1.138 7(3) nm, \{ c =\}\{2.178 8(6) nm\}, β =67.40(3)°, V =4.928(2) nm 3 , Z =4, R =0.062 0. Magnetic investigations reveal a weak ferromagnetic property with J =8.8 cm -1 .展开更多
A novel one-dimensional chain complex [Zn(dafo)2(H2O)2](NO3)2 was synthesized. It has been characterized by IR, UV, TGA, Elemental analysis and X-ray diffraction analysis. The crystal belongs to triclinic system, P1 s...A novel one-dimensional chain complex [Zn(dafo)2(H2O)2](NO3)2 was synthesized. It has been characterized by IR, UV, TGA, Elemental analysis and X-ray diffraction analysis. The crystal belongs to triclinic system, P1 space group. The Crystallographic data are: a = 0.702 7(14) nm, b = 0.828 95(17) nm, c = 10.225(2) nm, α = 95.02(3)°, β = 91.45(3)°, γ = 99.85(3)°. The crystal structure data indicate that the Zn(Ⅱ) ion was coordinated with the four nitrogen atoms of two dafo and two oxygen atoms of two coordination water molecules, respectively. The complex has a one-dimensional chain structure, which is formed by hydrogen bonds.展开更多
The compound 2,4,4,9,11,11-hexamethyl-1,5,8,12-tetraazacyclotetradecane-1,8-diene(1) was synthesized by new method with high yield(95.2%),and its complex with Cu(II) and SCN-was also obtained.The structures of both th...The compound 2,4,4,9,11,11-hexamethyl-1,5,8,12-tetraazacyclotetradecane-1,8-diene(1) was synthesized by new method with high yield(95.2%),and its complex with Cu(II) and SCN-was also obtained.The structures of both the ligand and the complex were characterized by IR,elemental analysis,and X-ray diffraction.The crystal of the title compound(2) belongs to monoclinic system,space group P21/n,Mr=501.53,a=1.28883(11) nm,b=1.13462(10) nm,c=1.58128(13) nm,β=102.7430(10)°,V=2.2554(3) nm3,Z=4,d=1.477g/ cm3,F(000)=1052.R1=0.0360,wR2=0.0976[I>2σ(Ⅰ)].The copper atom is five–coordinated with four nitrogen atoms from compound 1 and one nitrogen atom from thiocyanate to form a tetragonal pyramid structure.展开更多
A novel oxamido-bridged trinuclear complex Cu(NiL)2(ClO4)2 (where H2L=2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,3-dien) has been synthesized and characterized by elemental analysis, IR spectrum, U...A novel oxamido-bridged trinuclear complex Cu(NiL)2(ClO4)2 (where H2L=2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,3-dien) has been synthesized and characterized by elemental analysis, IR spectrum, UV-Visible spectrum and single crystal X-ray diffraction. It crystallizes in the monoclinic system, space group P21/n. The lattice parameters are: a=1.052 4(6) nm, b=1.182 1(6) nm, c=1.586 2(9) nm, a=91.657(9) and V=1.972 6(19) nm3, Z=2. The results show that the coordination geometry around copper(Ⅱ) in the title complex is hexa-coordinated octahedron. CCDC: 232608.展开更多
文摘Tetrazole-based nitrogen-rich compounds are energetic materials due to their high enthalpy of formation,high density and easy to achieve balance of oxygen.5-nitraminotetrazolate(5-NATZ) has been proved to possess excellent energetic properties among the simple tetrazole compounds and its metal complexes were thought to be promising energetic materials.In this paper,a novel nitrogen-rich energetic compound of Zn(5-NATZ)2(H2O)4 was synthesized and determined by X-ray single crystal diffraction technology.
文摘The macrocyclic ligand(L) and its dinuclear copper(Ⅱ) and zinc(Ⅱ) complexes have been synthesized. The crystal structure of [Cu 2L(Him) 2](ClO 4) 4·2H 2O has been determined by single crystal X ray diffraction. It crystallizes in a monoclinic system, the space group P2 1/c , a =0.951 2(2) nm, b =2.010 4(4) nm, c =1.202 5(2) nm, β =98.89(3)°, V =2.271 9(8) nm 3, Z=2, D c=1.599 Mg/m 3 , F (000) = 876 , R =0.059 1, wR =0.173 3, GOF(F)=1.009. The copper(Ⅱ) atom is five coordinated with four nitrogen atoms of the macrocyclic ligand and one nitrogen atom of imidazole. The stepwise stability constants of the 1∶1 and 2∶1 molar ratios of Cu to L and Zn to L complexes were determined by potentiometric titration in KCl supporting electrolyte(0.100 mol/L) at 25 ℃. The results indicated that zinc(Ⅱ) ion can form hydroxide bridged dinuclear complex [Zn 2(OH)L] 3+ , while the copper(Ⅱ) ion can only form dinuclear complex 3+ with macrocyclic ligand.
文摘A tetranuclear Mn(Ⅳ) complex \{\[L\-4Mn\-4O\-6\]\}(ClO\-4)\-4\52H\-2O (L=tacn)was synthesized from Mn(CH\-3COO)\-2\54H\-2O, tacn and NaClO\-4 and characterized by XRD. The compound crystallizes in monoclinic system, space group P2\-1/n , with a =2.133 5(6) nm, b =1.138 7(3) nm, \{ c =\}\{2.178 8(6) nm\}, β =67.40(3)°, V =4.928(2) nm 3 , Z =4, R =0.062 0. Magnetic investigations reveal a weak ferromagnetic property with J =8.8 cm -1 .
文摘A novel one-dimensional chain complex [Zn(dafo)2(H2O)2](NO3)2 was synthesized. It has been characterized by IR, UV, TGA, Elemental analysis and X-ray diffraction analysis. The crystal belongs to triclinic system, P1 space group. The Crystallographic data are: a = 0.702 7(14) nm, b = 0.828 95(17) nm, c = 10.225(2) nm, α = 95.02(3)°, β = 91.45(3)°, γ = 99.85(3)°. The crystal structure data indicate that the Zn(Ⅱ) ion was coordinated with the four nitrogen atoms of two dafo and two oxygen atoms of two coordination water molecules, respectively. The complex has a one-dimensional chain structure, which is formed by hydrogen bonds.
文摘The compound 2,4,4,9,11,11-hexamethyl-1,5,8,12-tetraazacyclotetradecane-1,8-diene(1) was synthesized by new method with high yield(95.2%),and its complex with Cu(II) and SCN-was also obtained.The structures of both the ligand and the complex were characterized by IR,elemental analysis,and X-ray diffraction.The crystal of the title compound(2) belongs to monoclinic system,space group P21/n,Mr=501.53,a=1.28883(11) nm,b=1.13462(10) nm,c=1.58128(13) nm,β=102.7430(10)°,V=2.2554(3) nm3,Z=4,d=1.477g/ cm3,F(000)=1052.R1=0.0360,wR2=0.0976[I>2σ(Ⅰ)].The copper atom is five–coordinated with four nitrogen atoms from compound 1 and one nitrogen atom from thiocyanate to form a tetragonal pyramid structure.
文摘A novel oxamido-bridged trinuclear complex Cu(NiL)2(ClO4)2 (where H2L=2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,3-dien) has been synthesized and characterized by elemental analysis, IR spectrum, UV-Visible spectrum and single crystal X-ray diffraction. It crystallizes in the monoclinic system, space group P21/n. The lattice parameters are: a=1.052 4(6) nm, b=1.182 1(6) nm, c=1.586 2(9) nm, a=91.657(9) and V=1.972 6(19) nm3, Z=2. The results show that the coordination geometry around copper(Ⅱ) in the title complex is hexa-coordinated octahedron. CCDC: 232608.
