Two new schiff base N,N＇-bis（（2-phenyl-2H-1,2,3-triazol-4-yl）methylene）-1,3-propanediamine （1） and N,N＇-bis（（2-phenyl-2H-1,2,3-triazol-4-yl）methylene） -1,4-butanediamine （2） were synthesized by condensation of 2-phenyl-1,2,3-triazole-4-carboxaldehyde with diamine, and characterized by elemental analysis, IR, IH NMR and MS spectra. Their crystal structures were determined by X-ray single crystal diffraction. Both crystals belong to the monoclinic system, space group P21/c. For compound 1（C21H20N8, Mr=384.45）： a = 16.314（3）, b =5.7168（11）, c = 21.316（4） A, β = 105.3（2）°, Z = 4, V = 1917.6（7） A^3, De =1.332 g/cm^3, F（000） = 808,μ = 0.086 mm 1, R = 0.0533 and wR = 0.1460; for compound 2 （C22H22N8, Mr=398.48）： a = 8.6156（17）, b = 5.2964（11）, c = 22.665（5）A, β = 100.54（3）°, Z = 2, V = 1016.8（4） A^3, De= 1.302 g/cm^3, F （000） = 420, μ = 0.083 mm^-1, R = 0.0373 and wR = 0.1155. Based on the crystal data, quantum chemistry calculation was performed on the two title compounds by means of Gaussian 98 program. The molecular orbital energies and atomic net charges population were obtained. Furthermore, we antilyzed their active atoms. The investigation can serve as a theoretical guide to study the synthesis and activity of the title compounds.
XIE Ling LIU Gang WANG Yan WANG Ji-De CHEN Jun-Feng
Three new cobalt complexes were synthesized by solid-state reaction at room temperature. It was found that one mole of complex reacted with two moles of oxygen at room temperature. And the oxygenated complexes [Co·(L1)2·2O2](NO3)2·2H2O (L1=N,N′-bis(4-hydroxyl-3-methoxy-benzyl)-triethylenetetramine), [Co·(L2)2·2O2](NO3)2 ·2H2O (L2=N,N′-bis(4-hydroxyl-benzyl)-triethylenetetramine) and [Co·L3·2O2](NO3)2·2H2O (L3=N,N′-bis(2-hydroxyl-benzyl)-triethylenetetramine) were obtained and characterized by elemental analysis, IR spectra, 1H NMR, TG/DTA, UV-Vis and molar conductance. The coordinated oxygen contents in the oxygenated complex were also determined by weight method. It was found that one O2 molecule coordinated to the Co ion and formed superoxo type oxygenated complex.
