(AG)(DNP)的合成和结构表征

Preparation and Structure Characterization of (AG)(DNP)

通过氨基胍 (AG)重碳酸盐与 2 ,4 二硝基苯酚 (DNP)反应 ,制备了新型离子型化合物 2 ,4 二硝基苯酚氨基胍 (AG) (DNP) .通过X射线单晶衍射、元素分析、红外光谱和热分析对其进行了表征 .测试结果表明 :该晶体属于单斜晶系 ,空间群P2 1/n ,a =0 492 2 ( 1)nm ,b =2 3 3 0 7( 3 )nm ,c=0 940 4( 6)nm ,β =91 62 1( 2 )° ,Z =2 ,Dc=1 5 90g/cm3 ,F( 0 0 0 ) =14 4.该化合物分子由氨基胍阳离子和 2 ,4 二硝基苯酚阴离子以静电引力结合 ,分子间存在氢键 .该化合物是一种具有潜在应用前景的气体发生剂 .

A new ionic compound (AG) (DNP) was prepared by using amido (AG) carbarmidine bicarbonate and 2, 4-dinitrophenol (DNP) as reagents. The characterization was carried out by means of single crystal X-ray diffraction analysis, elemental analysis and IR measurement. The crystal is in monoclinic system with space group P2(1)/n. The unit cell parameters are as follows: a = 0.4922(1) nm, b = 2.3307(3) nm, C = 0.9404(6) nm, beta = 91.621(12)degrees, Z = 2, D-c = 1. 590 g/cm(3), F (000) = 144. Amido (AG) cation and 2, 4-dinitrophenol (DNP) anion are combined with electrostatic interactions and the molecule is combined with intcrmolecular hydrogen bonds. Its thermal performance was studied by TG-DTG and DSC techniques. The result shows that the title compound would be a very promising gas generating agent.