一个金属中心的机械化学Cis/Trans异构化,涉及金属有机素结合 (MOXB) 晶
Katarina Lisac1,2, Luzia S Germann3,4, Mihails Arhangelskis5
1Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, Zagreb, 10000, Croatia.
素结合驱动 cis-金属复合物的机械化学异构化到跨异构体. 在金属有机素结合 (MOXB) 共晶体中的这一发现揭示了金属复合物的新响应行为.
科学领域:
- 固态化学 固态化学
- 超分子化学 超分子化学
- 机械化学 机械化学
背景情况:
- 金属复合体通常表现出持久的cis-geometries.
- 在固态系统中,向跨几何体的异构化可能具有挑战性.
- 素结合是固态转换中未得到充分利用的相互作用.
研究的目的:
- 研究素结合在金属复合物的机械化学异构化中的作用.
- 探索金属有机化合物结合 (MOXB) 共晶体的形成和性质.
- 在基于金属的材料中展示新的响应行为.
主要方法:
- 机械化学的金属复合物的球磨.
- 实时现场同步射线粉末X射线衍射 (PXRD).
- 周期密度函数理论 (DFT) 的计算.
主要成果:
- 素结合使金属复合物的cis-to-trans异构化通过球磨.
- 观察到一个 cis-geometry MOXB 同晶体的短暂形成,其次是 trans-geometry 同晶体.
- DFT计算证实了在共晶体内对异构化增强的旋性有利性.
结论:
- 金属有机化合物结合的共晶促进机械化学 cis→trans 异构化.
- 这种方法为控制金属复杂几何结构提供了一条新途径.
- MOXB共晶体呈现出新型基于金属的响应性材料,与父复合体不同.
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