期刊
CHEMICAL COMMUNICATIONS
卷 51, 期 85, 页码 15538-15541出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5cc06190c
关键词
-
资金
- Deutsche Forschungsgemeinschaft [KI1879]
- EPSRC [EP/M009580/1, EP/L000202]
- ERC [277757]
- Royal Society
- Cambridge Overseas Trust
- China's Scholarship council
- Engineering and Physical Sciences Research Council [EP/L000202/1, EP/M009580/1] Funding Source: researchfish
- EPSRC [EP/L000202/1] Funding Source: UKRI
Polymorphism in formate-based dense metal-organic frameworks with the general formula ABX(3) is predicted by quantum chemical calculations and confirmed experimentally. In particular [NH3NH2]Zn(HCOO)(3) crystallizes in two different polymorphs, a perovskite-like framework and a chiral structure with hexagonal channels. A detailed thermodynamic analysis reveals that both structures are very close in free energy and that entropy driven effects are responsible for stabilizing the channel structure.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据