Synthesis,Crystal Structure and Thermal Properties of Zn（NH3）3（AFT）2  

作　　者：MA Xiao DING Zi-Mei SHANG Fan HANG Xiao-Jing WANG Xiao-Hong XU Kang-Zhen HUANG Jie 马肖;丁自美;尚帆;行小菁;王晓红;徐抗震;黄洁(School of Chemical Engineering Northwest University/Shaanxi Key L aboratory of Physico-in organic Chemistry, Xi 'an 710069, China;Xi 'an Modern Chemistry Research Institute, Xi 'an 710065, China)

机构地区：[1]School of Chemical Engineering Northwest University/Shaanxi Key L aboratory of Physico-in organic Chemistry, Xi 'an 710069, China [2]Xi 'an Modern Chemistry Research Institute, Xi 'an 710065, China

出　　处：《Chinese Journal of Structural Chemistry》2019年第7期1173-1181,共9页结构化学（英文）

基　　金：financial assistance from the National Natural Science Foundation of China(No.21241003);the Natural Science Basic Research of Shaanxi Province(No.2018JM2061);the Northwest University Graduate Innovation and Creativity Funds(No.YZZ17145)

摘　　要：A new coordination compound of Zn(NH3)3(AFT)2(1,ZnC6H13N17O2,AFT =4-amino-3-(5-tetrazolate)-furazan)was synthesized and characterized by elemental analysis and FT-IR spectrum.Its crystal structure was determined by X-ray single-crystal diffraction.This crystal belongs to the orthorhombic system,space group Pnma with a = 18.680(3),b = 6.9438(11),c =12.268(2)A,μ= 1.592 mm-1,V= 1591.3(4)A3,M,= 420.72,Dc=1.756 g·cm^-3,Z= 4,F(000)= 860,the final R = 0.0480 and wR = 0.1262 for the observed reflections with I>2σ(Ⅰ).The zinc(Ⅱ)ion is five-coordinated by N atoms from two AFT"ligands and three NH3 molecules.The thermal decomposition mechanism of compound 1 was tested by differential scanning calorimetry(DSC)and thermogravimetry-derivative thermogravimetry(TG-DTG)methods.The DSC curve exhibits two endothermic and one exothermic processes.In addition,the non-isothermal kinetics parameters were calculated by using the Kissinger s method and Ozawa-Doyle's method.Besides,the entropy of activation(ΔS≠),enthalpy of activation(ΔH≠),free energy of activation(ΔG≠)and impact sensitivity(IS)was also obtained.

关 键 词：4-amino-3-(5-tetrazolate)-furazan SYNTHESIS crystal structure thermal behavior 

分 类 号：TQ[化学工程]