等结构
旋转交叉
共晶
超分子化学
化学
氢键
结晶学
晶体工程
晶体结构
分子
有机化学
作者
Lee T. Birchall,Amber T. Raja,Lewis Jackson,Helena J. Shepherd
标识
DOI:10.1021/acs.cgd.2c01282
摘要
In order to improve strategies for the design of spin-crossover materials, it is necessary to develop and understand structure–property relationships, and this is best achieved by obtaining isostructural materials. In this work we synthesized a series of four isostructural cocrystal solvates using the [Fe(3-bpp)2][A]2 complex and the 2,2-dipyridyl disulfide coformer in methanol and ethanol (A = BF4– or PF6–). The spin-crossover properties of the materials were determined by variable temperature single-crystal X-ray diffraction. They show the same SCO behavior but with shifted spin-crossover temperatures, which has been related to the hydrogen bond basicity, pKBHX of the anions, and solvents present. This relationship between hydrogen bond basicity and the spin-crossover transition temperature offers a design strategy for the supramolecular tuning of spin-crossover properties in specific isostructural materials.
科研通智能强力驱动
Strongly Powered by AbleSci AI