一维链状配位聚合物｛[C u(H_2bttc)(H_2O)_3]·3H_2O｝_n的非等温反应动力学和晶体结构(英文)  

Non-isothermal Kinetics and Crystal Structure of One-dimensional Coordination Polymer ｛[C u(H_2bttc)(H_2O)_3]·3H_2O｝_n

作　　者：郭金玉[1] 张同来[1] 张建国[1] 乔小晶[1] 杨利[1] 于伟[1] 吴瑞凤[1] 

机构地区：[1]北京理工大学爆炸科学与技术国家重点实验室,北京100081

出　　处：《无机化学学报》2006年第12期2179-2185,共7页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金资助项目(No.20471008);北京理工大学基础研究基金资助项目(No.BIT-UBF-200502B4221)

摘　　要：为研究配位聚合物｛[Cu(H2bttc)(H2O)3·]3H2O｝n(H2bttc=1,2,4,5-benzenetetracarboxylate)的热分解机理和非等温反应动力学进行了DSC和TG-DTG热分析。由热分析结果和FTIR光谱推测了其热分解机理;将Kissinger法、Ozawa法、积分法和微分法得到的动力学参数进行比较确定了第一个失重过程最可能的动力学模型函数。配位聚合物的X射线单晶结构分析表明它由[Cu(H2bttc)(H2O)3]n分子链组成,并有客体水分子通过分子间氢键附着在分子链上。这一结构特点与热分析结果相一致。还有一种氢键将分子链连接起来形成二维框架,这一框架在失去配位水和结晶水后到553K开始分解。Thermal analyses DSC and TG-DTG have been performed on the title coordination polymer （H2bttc= 1,2,4,5-benzenetetracarboxylate） to investigate its thermal decomposition mechanism and the associated kinetics. The thermal decomposition mechanism is predicted based on DSC, TG-DTG and FFIR techniques. The most probable kinetic model function of the first mass loss stage is determined by comparison of kinetic parameters obtained by using Kissinger, Ozawa, integral and differential methods. The coordination polymer is comprised of the molecular chains of {[Cu（H2bttc）（H2O）3]·3H2O}n with guest water molecules linked by intermolecular hydrogen bonds. This structural feature is in agreement with the results of the thermal analyses on the coordination polymer. Another kind of hydrogen bonds that link the molecular chains together to form the two-dimensional frameworks make the molecules stable up to 553 K after the release of the coordination and lattice waters. CCDC： 611873.

关 键 词：热分解机理 非等温反应动力学 均苯四甲酸 一维框架结构 

分 类 号：O614.121[理学—无机化学] O641[理学—化学]