Weber Oliver J, Marshall Kayleigh L, Dyson Lewis M, Weller Mark T
Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AX, England.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2015 Dec 1;71(Pt 6):668-78. doi: 10.1107/S2052520615019885.
The structural chemistry of hybrid organic-inorganic lead iodide materials has become of increasing significance for energy applications since the discovery and development of perovskite solar cells based on methylammonium lead iodide. Seven new hybrid lead iodide compounds have been synthesized and structurally characterized using single-crystal X-ray diffraction. The lead iodide units in materials templated with bipyridyl, 1,2-bis(4-pyridyl)ethane, 1,2-di(4-pyridyl)ethylene and imidazole adopt one-dimensional chain structures, while crystallization from solutions containing piperazinium cations generates a salt containing isolated PbI6 octahedral anions. Templating with 4-chlorobenzylammonium lead iodide adopts the well known two-dimensional layered perovskite structure with vertex shared sheets of composition PbI4 separated by double layers of organic cations. The relationships between the various structures determined, their compositions, stability and hydrogen bonding between the protonated amine and the iodide ions of the PbI6 octahedra are described.
自从基于甲基碘化铅的钙钛矿太阳能电池被发现和发展以来，有机-无机杂化碘化铅材料的结构化学在能源应用方面变得越来越重要。已合成了七种新型杂化碘化铅化合物，并使用单晶X射线衍射对其进行了结构表征。以联吡啶、1,2-双(4-吡啶基)乙烷、1,2-二(4-吡啶基)乙烯和咪唑为模板的材料中的碘化铅单元采用一维链结构，而从含有哌嗪鎓阳离子的溶液中结晶会生成一种含有孤立的PbI6八面体阴离子的盐。以4-氯苄基铵为模板的碘化铅采用众所周知的二维层状钙钛矿结构，其由PbI4组成的顶点共享片层被有机阳离子双层隔开。描述了所确定的各种结构之间的关系、它们的组成、稳定性以及质子化胺与PbI6八面体的碘离子之间的氢键。
