借助于单晶―单晶的转变探索含有孔道结构Ln-MOFs材料的质子导电行为

The accessible internal space of channel-structured lanthanide metal-organic frameworks (Ln-MOFs) based host materials can serve as good candidates for loading varieties of guest molecules. In this regard, the proton-conducting organic molecules (such as, imidazole, pyrazole and triazole) will be immersed into the channels of host skeleton, then the Nyquist plots of Ln-MOFs will be systematically studied at different temperatures. The experiments will be started from both host skeleton and guest molecules at the same time. In this project, the explorations of proton-conducting behaviors in channel-structured Ln-MOFs will be based on the single-crystal-to-single-crystal transformation. If this project can be carried out smoothly, it is possible to open many "unknown boxes" of proton-conducting behaviors. With the help of single crystal X-ray analysis, we can understand the proton-conducting pathways more easily. Also, the source of transmission capability for protons in Ln-MOFs material can be discovered, and we can realize the reasons which are related to host skeleton or guest molecules. To the best of our knowledge, the explorations of Ln-MOFs material with proton-conducting properties are still in their infancy, and it is the first time that the proton-conducting behaviors in channel-structured Ln-MOFs are studied by single-crystal-to-single-crystal transformation. We believe that this project is of important experimental and theoretical significance in field of MOFs and electrical applications.

含孔道结构Ln-MOFs材料的主体骨架可以负载众多的客体分子，基于此，将具有质子导电性的小分子（如：咪唑、吡唑、三氮唑）负载入Ln-MOFs材料的主体骨架内，我们就可以系统地研究整个复合体系在不同温度条件下的Nyquist曲线。本课题将从Ln-MOFs材料的主体骨架与客体分子两个方面同时入手，借助于单晶―单晶的转变去探索含有孔道结构Ln-MOFs材料的质子导电行为。本课题的开展可以帮助我们打开质子导电领域的众多“黑匣子”，更加清晰地理解质子在Ln-MOFs材料孔道中的传输路径，了解影响质子传输能力的影响因素，找出基于主体骨架或客体分子方面决定Ln-MOFs材料导电率的原因。基于Ln-MOFs材料在质子导电领域的发展仍旧属于研究的初期阶段，本课题是首次借助于单晶―单晶的转变去系统探讨含孔道结构Ln-MOFs材料的质子导电行为，势必会对MOFs及导电两个研究领域均产生重要的影响。

在该项目资金的资助下，申请者和项目组成员基本上按照项目的要求开展工作，研究内容按计划有序进行，取得了一些有意义的成果。合成得到一系列具有不同结构类型的MOFs材料，开展了关于质子在MOFs材料中传输路径、影响因素、导电机理等方面研究。本课题将具有质子导电性的小分子（如：咪唑、吡唑、三氮唑）负载入Ln-MOFs材料的主体骨架内，然后从Ln-MOFs材料的主体骨架与客体分子两个方面同时入手，借助于单晶―单晶的转变去探索含有孔道结构Ln-MOFs材料的质子导电行为。借助于单晶x-射线衍射这一手段，更加清晰地理解了质子在Ln-MOFs材料孔道中的传输路径，了解了影响质子传输能力的影响因素，找出了基于主体骨架或客体分子方面决定Ln-MOFs材料导电率的原因。基于Ln-MOFs材料在质子导电领域的发展仍旧属于研究的初期阶段，本课题势必会对MOFs及导电两个研究领域均产生重要的影响。