Role of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks

Chemical Communications : Chem Comm
Gregor KieslichAnthony K Cheetham

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.

References

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Jul 28, 2004·Dalton Transactions : an International Journal of Inorganic Chemistry·Zheming WangMohamedally Kurmoo
Jul 17, 2009·The Journal of Chemical Physics·Gareth A Tribello, Ben Slater
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May 13, 2014·Journal of the American Chemical Society·Wei LiAnthony K Cheetham
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Jun 1, 2015·Chemical Science·Gregor KieslichAnthony K Cheetham

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Citations

May 7, 2016·Physical Chemistry Chemical Physics : PCCP·Mirosław MączkaJerzy Hanuza
Jun 2, 2017·Nature Communications·Juan M Bermúdez-GarcíaMaría A Señarís-Rodríguez
Nov 30, 2016·Physical Chemistry Chemical Physics : PCCP·Christopher H HendonBrent C Melot
May 13, 2017·Chemistry : a European Journal·Yao YuSong Gao
Jun 2, 2017·Chemical Science·Keith T ButlerGregor Kieslich
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·Mirosław MączkaJuras Banys
Feb 20, 2019·Chemical Communications : Chem Comm·Hayden A EvansAnthony K Cheetham
Mar 6, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Claire L Hobday, Gregor Kieslich
Sep 22, 2017·The Journal of Physical Chemistry Letters·Juan M Bermúdez-GarcíaMaría A Señarís-Rodríguez
Oct 27, 2017·Journal of the American Chemical Society·Yue WuAnthony K Cheetham
Feb 17, 2018·Accounts of Chemical Research·Anthony K CheethamH H-M Yeung
Dec 7, 2018·Journal of the American Chemical Society·Alexander C ForseJeffrey A Reimer

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