Abstract
Polymorphism in formate-based dense metal-organic frameworks with the general formula ABX3 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.
Original language | English |
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Pages (from-to) | 15538-15541 |
Number of pages | 4 |
Journal | Chemical Communications |
Volume | 51 |
Issue number | 85 |
DOIs | |
State | Published - 2015 |
Bibliographical note
Publisher Copyright:© The Royal Society of Chemistry.