Role of entropic effects in controlling the polymorphism in formate ABX sub(3) metal-organic frameworks

Polymorphism in formate-based dense metal-organic frameworks with the general formula ABX sub(3) is predicted by quantum chemical calculations and confirmed experimentally. In particular [NH sub(3)NH sub(2)]Zn(HCOO) sub(3) crystallizes in two different polymorphs, a perovskite-like framework and a c...

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Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2015-10, Vol.51 (85), p.15538-15541
Hauptverfasser:	Kieslich, Gregor, Kumagai, Shohei, Butler, Keith T, Okamura, Takuro, Hendon, Christopher H, Sun, Shijing, Yamashita, Masahiro, Walsh, Aron, Cheetham, Anthony K
Format:	Artikel
Sprache:	eng
Schlagworte:	Channels Crystallization Entropy Free energy Mathematical analysis Metal-organic frameworks Polymorphism Quantum chemistry Thermodynamics
Online-Zugang:	Volltext
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