Literature DB >> 26351703

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

Gregor Kieslich1, Shohei Kumagai, Keith T Butler, Takuro Okamura, Christopher H Hendon, Shijing Sun, Masahiro Yamashita, Aron Walsh, Anthony 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.

Entities:  

Year:  2015        PMID： 26351703     DOI： 10.1039/c5cc06190c

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  7 in total

1.  Computational Screening of All Stoichiometric Inorganic Materials.

Authors:  Daniel W Davies; Keith T Butler; Adam J Jackson; Andrew Morris; Jarvist M Frost; Jonathan M Skelton; Aron Walsh
Journal:  Chem       Date:  2016-10-13       Impact factor: 22.804

2.  Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1-x [NH3OH] x Zn(HCOO)3.

Authors:  Gregor Kieslich; Shohei Kumagai; Alexander C Forse; Shijing Sun; Sebastian Henke; Masahiro Yamashita; Clare P Grey; Anthony K Cheetham
Journal:  Chem Sci       Date:  2016-04-12       Impact factor: 9.825

3.  Elucidating CO2 Chemisorption in Diamine-Appended Metal-Organic Frameworks.

Authors:  Alexander C Forse; Phillip J Milner; Jung-Hoon Lee; Halle N Redfearn; Julia Oktawiec; Rebecca L Siegelman; Jeffrey D Martell; Bhavish Dinakar; Leo B Zasada; Miguel I Gonzalez; Jeffrey B Neaton; Jeffrey R Long; Jeffrey A Reimer
Journal:  J Am Chem Soc       Date:  2018-12-13       Impact factor: 15.419

4.  Giant barocaloric effect in the ferroic organic-inorganic hybrid [TPrA][Mn(dca)3] perovskite under easily accessible pressures.

Authors:  Juan M Bermúdez-García; Manuel Sánchez-Andújar; Socorro Castro-García; Jorge López-Beceiro; Ramón Artiaga; María A Señarís-Rodríguez
Journal:  Nat Commun       Date:  2017-06-01       Impact factor: 14.919

5.  Organised chaos: entropy in hybrid inorganic-organic systems and other materials.

Authors:  Keith T Butler; Aron Walsh; Anthony K Cheetham; Gregor Kieslich
Journal:  Chem Sci       Date:  2016-07-05       Impact factor: 9.825

6.  Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI 0.5MIII 0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites.

Authors:  Maciej Ptak; Katrine L Svane; Ines E Collings; Waldeci Paraguassu
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2020-02-24       Impact factor: 4.126

7.  Configurational Entropy Driven High-Pressure Behaviour of a Flexible Metal-Organic Framework (MOF).

Authors:  Pia Vervoorts; Julian Keupp; Andreas Schneemann; Claire L Hobday; Dominik Daisenberger; Roland A Fischer; Rochus Schmid; Gregor Kieslich
Journal:  Angew Chem Int Ed Engl       Date:  2020-11-12       Impact factor: 16.823
  7 in total

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