Nitration of 2,2'-Dinitro-4,4'-biphenyldicarboxylic Acid at High Concentration of Sulfuric and Nitric Acids  

作　　者：吴瑞凤 施和平 张同来 

机构地区：[1]College of Chemical Engineering,Inner Mongolia University of Technology [2]College of Science,Inner Mongolia Agricultural University [3]State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology

出　　处：《Chinese Journal of Structural Chemistry》2011年第6期877-881,共5页结构化学（英文）

基　　金：supported by the opening project of State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology) (No. KFJJ10-7M)

摘　　要：Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing four nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of TNBPDC（TNBPDC = 2,2＇,6,6＇-tetranitro-4,4＇-biphenyl dicarboxylic acid） was determined by X-ray single-crystal diffraction.The title compound（C20H20N6O14,Mr = 600.42） crystallizes in tetragonal,space group I41/a with a = 9.8774（1）,b = 9.8774（1）,c = 25.335（7） ,V = 2471.7（8） 3,Z = 4,Dc = 1.613 g/cm3,F（000） = 1240,μ（MoKα） = 0.142 mm-1,T = 294（2） K,the final R = 0.0797 and wR = 0.2177 for 554 observed reflections with I〉 2σ（I）.In this crystal,there exist a number of H-bonds which link the molecules to form a three-dimensional infinite network structure.The thermal decomposition of the title compound has been carried out through DSC and TG-DTG analyses at a heating rate of 10 ℃/min.The results indicate that the compound has high heat-resistant stability.Nitration of 4,4＇-biphenyldicarboxylic acid（BPDC） was studied and an aromatic carboxylic acid containing four nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of TNBPDC（TNBPDC = 2,2＇,6,6＇-tetranitro-4,4＇-biphenyl dicarboxylic acid） was determined by X-ray single-crystal diffraction.The title compound（C20H20N6O14,Mr = 600.42） crystallizes in tetragonal,space group I41/a with a = 9.8774（1）,b = 9.8774（1）,c = 25.335（7） ,V = 2471.7（8） 3,Z = 4,Dc = 1.613 g/cm3,F（000） = 1240,μ（MoKα） = 0.142 mm-1,T = 294（2） K,the final R = 0.0797 and wR = 0.2177 for 554 observed reflections with I〉 2σ（I）.In this crystal,there exist a number of H-bonds which link the molecules to form a three-dimensional infinite network structure.The thermal decomposition of the title compound has been carried out through DSC and TG-DTG analyses at a heating rate of 10 ℃/min.The results indicate that the compound has high heat-resistant stability.

关 键 词：energetic compounds molecular structure thermal stability 

分 类 号：O625.51[理学—有机化学]