DOI: 10.1039/c5cc06190c. Role of entropic effects in controlling the polymorphism in formate ABX<sub>3</sub> metal

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

10.1039/c5cc06190c

Crossref journal-article

Royal Society of Chemistry (RSC)

Chemical Communications (292)

Abstract

Polymorphism in formate-based dense metal–organic frameworks with the general formula ABX3 is predicted by quantum chemical calculations and confirmed experimentally.

Bibliography

Kieslich, G., Kumagai, S., Butler, K. T., Okamura, T., Hendon, C. H., Sun, S., Yamashita, M., Walsh, A., & Cheetham, A. K. (2015). Role of entropic effects in controlling the polymorphism in formate ABX3 metalâorganic frameworks. Chemical Communications, 51(85), 15538â15541.

Authors 9

Gregor Kieslich (first)
Shohei Kumagai (additional)
Keith T. Butler (additional)
Takuro Okamura (additional)
Christopher H. Hendon (additional)
Shijing Sun (additional)
Masahiro Yamashita (additional)
Aron Walsh (additional)
Anthony K. Cheetham (additional)

References 31 Referenced 66

10.1039/B311156C / Chem. Commun. by Forster (2004)
10.1039/C3DT52430B / Dalton Trans. by Yeung (2014)
10.1021/ja01379a006 / J. Am. Chem. Soc. by Pauling (1929)
{'key': 'C5CC06190C/cit3b/1', 'first-page': '129', 'author': 'Baur', 'year': '1970', 'journal-title': 'Trans. Am. Crystallogr. Assoc.'} / Trans. Am. Crystallogr. Assoc. by Baur (1970)
10.1021/ja4110073 / J. Am. Chem. Soc. by Butler (2014)
10.1021/am507016r / ACS Appl. Mater. Interfaces by Butler (2014)
10.1126/science.1246738 / Science by Talin (2014)
10.1126/science.1228604 / Science by Lee (2012)
10.1039/C4EE03523B / Energy Environ. Sci. by Butler (2015)
10.1038/srep06062 / Sci. Rep. by Tian (2014)
10.1021/ja904156s / J. Am. Chem. Soc. by Jain (2009)
10.1039/C3QI00034F / Inorg. Chem. Front. by Chen (2014)
10.1039/B404466E / Dalton Trans. by Wang (2004)
10.1021/ja104263m / J. Am. Chem. Soc. by Xu (2010)
10.1107/S0567739476001551 / Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. by Shannon (1976)
10.1039/C5SC00961H / Chem. Sci. by Kieslich (2015)
10.1021/jp402148y / J. Phys. Chem. C by Asaji (2013)
10.1073/pnas.1102079108 / Proc. Natl. Acad. Sci. U. S. A. by Besara (2011)
10.1021/ic302129m / Inorg. Chem. by Liu (2012)
10.1039/C4SC02211D / Chem. Sci. by Kieslich (2014)
10.1063/1.3382344 / J. Chem. Phys. by Grimme (2010)
10.1063/1.4904818 / APL Mater. by Du Bouëssel Bourg (2014)
10.1063/1.3142503 / J. Chem. Phys. by Tribello (2009)
10.1103/PhysRevB.78.134106 / Phys. Rev. B: Condens. Matter Mater. Phys. by Togo (2008)
10.1107/S0021889811038970 / J. Appl. Crystallogr. by Momma (2011)
10.1021/ja500618z / J. Am. Chem. Soc. by Li (2014)
10.1002/chem.200901605 / Chem. – Eur. J. by Hu (2009)
10.1073/pnas.1423898112 / Proc. Natl. Acad. Sci. U. S. A. by Sun (2015)
10.1002/anie.201504396 / Angew. Chem., Int. Ed. by Chen (2015)
10.1038/ncomms4169 / Nat. Commun. by Ihli (2014)
10.1021/ic401215x / Inorg. Chem. by Stoumpos (2013)

Dates

Type	When
Created	9 years, 11 months ago (Sept. 1, 2015, 12:04 p.m.)
Deposited	1 year ago (July 31, 2024, 4:14 a.m.)
Indexed	1 year ago (Aug. 16, 2024, 8:49 p.m.)
Issued	10 years, 7 months ago (Jan. 1, 2015)
Published	10 years, 7 months ago (Jan. 1, 2015)
Published Online	10 years, 7 months ago (Jan. 1, 2015)

Funders 0

None

BibTeX

@article{Kieslich_2015, title={Role of entropic effects in controlling the polymorphism in formate ABX3 metal–organic frameworks}, volume={51}, ISSN={1364-548X}, url={http://dx.doi.org/10.1039/c5cc06190c}, DOI={10.1039/c5cc06190c}, number={85}, journal={Chemical Communications}, publisher={Royal Society of Chemistry (RSC)}, author={Kieslich, Gregor and Kumagai, Shohei and Butler, Keith T. and Okamura, Takuro and Hendon, Christopher H. and Sun, Shijing and Yamashita, Masahiro and Walsh, Aron and Cheetham, Anthony K.}, year={2015}, pages={15538–15541} }

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