34
P. I. Ravikovitch
16. Aguado S, Bergeret G, Titus MP, Moizan V, Nieto-Draghi C, Bats N, Farrusseng D (2011)
Guest-induced gate-opening of a zeolite imidazolate framework. New J Chem 35:546–550
17. McGuirk CM, Runcevski T, Oktawiec J, Turkiewicz A, Taylor MK, Long JR (2018) Influence
of metal substitution on the pressure-induced phase change in flexible zeolitic imidazolate
frameworks. J Am Chem Soc 140:15924–15933
18. Cuadrado-Collados C, Fernandez-Catala J, Fauth F, Cheng YQQ, Daemen LL, Ramirez-Cuesta
AJ, Silvestre-Albero J (2017) Understanding the breathing phenomena in nano-ZIF-7 upon gas
adsorption. J Mater Chem A 5:20938–20946
19. Moggach SA, Bennett TD, Cheetham AK (2009) The effect of pressure on ZIF-8: increasing
pore size with pressure and the formation of a high-pressure phase at 1.47 GPa. Ang Chem Int
Edn 48:7087–7089
20. Fairen-Jimenez D, Moggach SA, Wharmby MT, Wright PA, Parsons S, Düren T (2011) Opening
the gate: framework flexibility in ZIF-8 explored by experiments and simulations. J Am Chem
Soc 133:8900–8902
21. Sun Y, Li Y, Tan J-C (2018) Liquid intrusion into zeolitic imidazolate framework-7 nanocrystals: exposing the roles of phase transition and gate opening to enable energy absorption
applications. ACS Appl Mater Interfaces 10:41831–41838
22. Henke S, Wharmby MT, Kieslich G, Hante I, Schneemann A, Wu Y, Daisenberger D, Cheetham
AK (2018) Pore closure in zeolitic imidazolate frameworks under mechanical pressure. Chem
Sci 9:1654–1660
23. Du Y, Wooler B, Nines M, Kortunov P, Paur CS, Zengel J, Weston SC, Ravikovitch PI (2015)
New high- and low-temperature phase changes of ZIF-7: elucidation and prediction of the
thermodynamics of transitions. J Am Chem Soc 137:13603–13611
24. Wharmby MT, Henke S, Bennett TD, Bajpe SR, Schwedler I, Thompson SP, Gozzo F, Simoncic
P, Mellot-Draznieks C, Tao H, Yue Y, Cheetham AK (2015) Extreme flexibility in a zeolitic
imidazolate framework: porous to dense phase transition in desolvated ZIF-4. Angew Chem
Int Ed 54:6447–6451
25. Coudert F-X, Jeffroy M, Fuchs AH, Boutin A, Mellot-Draznieks C (2008) Thermodynamics
of guest-induced structural transitions in hybrid organic−inorganic frameworks. J Am Chem
Soc 130:14294–14302
26. Neimark AV, Coudert FX, Boutin A, Fuchs AH (2010) Stress-based model for the breathing
of metal-organic frameworks. J Phys Chem Lett 1:445–449
27. Zang J, Nair S, Sholl DS (2011) Osmotic ensemble methods for predicting adsorption-induced
structural transitions in nanoporous materials using molecular simulations. J Chem Phys 134
28. Neimark AV, Coudert F-X, Triguero C, Boutin A, Fuchs AH, Beurroies I, Denoyel R (2011)
Structural transitions in MIL-53 (Cr): view from outside and inside. Langmuir 27:4734–4741
29. Ghoufi A, Subercaze A, Ma Q, Yot PG, Ke Y, Puente-Orench I, Devic T, Guillerm V, Zhong
C, Serre C, Ferey G, Maurin G (2012) Comparative guest, thermal, and mechanical breathing
of the porous metal organic framework MIL-53(Cr): a computational exploration supported by
experiments. J Phys Chem C 116:13289–13295
30. Gee JA, Sholl DS (2013) Characterization of the thermodynamic stability of solvated metalorganic framework polymorphs using molecular simulations. J Phys Chem C 117:20636–20642
31. Zhang L, Hu Z, Jiang J (2013) Sorption-induced structural transition of zeolitic imidazolate
framework-8: a hybrid molecular simulation study. J Am Chem Soc 135:3722–3728
32. Zhang C, Gee JA, Sholl DS, Lively RP (2014) Crystal-size-dependent structural transitions in
nanoporous crystals: adsorption-induced transitions in ZIF-8. J Phys Chem C 118:20727–20733
33. Bourg LBD, Ortiz AU, Boutin A, Coudert F-X (2014) Thermal and mechanical stability of
zeolitic imidazolate frameworks polymorphs. APL Mater 2:124110
34. Sarkisov L, Martin RL, Haranczyk M, Smit B (2014) On the flexibility of metal-organic
frameworks. J Am Chem Soc 136:2228–2231
35. Tanaka H, Ohsaki S, Hiraide S, Yamamoto D, Watanabe S, Miyahara MT (2014) Adsorptioninduced structural transition of ZIF-8: a combined experimental and simulation study. J Phys
Chem C 118:8445–8454
P. I. Ravikovitch
16. Aguado S, Bergeret G, Titus MP, Moizan V, Nieto-Draghi C, Bats N, Farrusseng D (2011)
Guest-induced gate-opening of a zeolite imidazolate framework. New J Chem 35:546–550
17. McGuirk CM, Runcevski T, Oktawiec J, Turkiewicz A, Taylor MK, Long JR (2018) Influence
of metal substitution on the pressure-induced phase change in flexible zeolitic imidazolate
frameworks. J Am Chem Soc 140:15924–15933
18. Cuadrado-Collados C, Fernandez-Catala J, Fauth F, Cheng YQQ, Daemen LL, Ramirez-Cuesta
AJ, Silvestre-Albero J (2017) Understanding the breathing phenomena in nano-ZIF-7 upon gas
adsorption. J Mater Chem A 5:20938–20946
19. Moggach SA, Bennett TD, Cheetham AK (2009) The effect of pressure on ZIF-8: increasing
pore size with pressure and the formation of a high-pressure phase at 1.47 GPa. Ang Chem Int
Edn 48:7087–7089
20. Fairen-Jimenez D, Moggach SA, Wharmby MT, Wright PA, Parsons S, Düren T (2011) Opening
the gate: framework flexibility in ZIF-8 explored by experiments and simulations. J Am Chem
Soc 133:8900–8902
21. Sun Y, Li Y, Tan J-C (2018) Liquid intrusion into zeolitic imidazolate framework-7 nanocrystals: exposing the roles of phase transition and gate opening to enable energy absorption
applications. ACS Appl Mater Interfaces 10:41831–41838
22. Henke S, Wharmby MT, Kieslich G, Hante I, Schneemann A, Wu Y, Daisenberger D, Cheetham
AK (2018) Pore closure in zeolitic imidazolate frameworks under mechanical pressure. Chem
Sci 9:1654–1660
23. Du Y, Wooler B, Nines M, Kortunov P, Paur CS, Zengel J, Weston SC, Ravikovitch PI (2015)
New high- and low-temperature phase changes of ZIF-7: elucidation and prediction of the
thermodynamics of transitions. J Am Chem Soc 137:13603–13611
24. Wharmby MT, Henke S, Bennett TD, Bajpe SR, Schwedler I, Thompson SP, Gozzo F, Simoncic
P, Mellot-Draznieks C, Tao H, Yue Y, Cheetham AK (2015) Extreme flexibility in a zeolitic
imidazolate framework: porous to dense phase transition in desolvated ZIF-4. Angew Chem
Int Ed 54:6447–6451
25. Coudert F-X, Jeffroy M, Fuchs AH, Boutin A, Mellot-Draznieks C (2008) Thermodynamics
of guest-induced structural transitions in hybrid organic−inorganic frameworks. J Am Chem
Soc 130:14294–14302
26. Neimark AV, Coudert FX, Boutin A, Fuchs AH (2010) Stress-based model for the breathing
of metal-organic frameworks. J Phys Chem Lett 1:445–449
27. Zang J, Nair S, Sholl DS (2011) Osmotic ensemble methods for predicting adsorption-induced
structural transitions in nanoporous materials using molecular simulations. J Chem Phys 134
28. Neimark AV, Coudert F-X, Triguero C, Boutin A, Fuchs AH, Beurroies I, Denoyel R (2011)
Structural transitions in MIL-53 (Cr): view from outside and inside. Langmuir 27:4734–4741
29. Ghoufi A, Subercaze A, Ma Q, Yot PG, Ke Y, Puente-Orench I, Devic T, Guillerm V, Zhong
C, Serre C, Ferey G, Maurin G (2012) Comparative guest, thermal, and mechanical breathing
of the porous metal organic framework MIL-53(Cr): a computational exploration supported by
experiments. J Phys Chem C 116:13289–13295
30. Gee JA, Sholl DS (2013) Characterization of the thermodynamic stability of solvated metalorganic framework polymorphs using molecular simulations. J Phys Chem C 117:20636–20642
31. Zhang L, Hu Z, Jiang J (2013) Sorption-induced structural transition of zeolitic imidazolate
framework-8: a hybrid molecular simulation study. J Am Chem Soc 135:3722–3728
32. Zhang C, Gee JA, Sholl DS, Lively RP (2014) Crystal-size-dependent structural transitions in
nanoporous crystals: adsorption-induced transitions in ZIF-8. J Phys Chem C 118:20727–20733
33. Bourg LBD, Ortiz AU, Boutin A, Coudert F-X (2014) Thermal and mechanical stability of
zeolitic imidazolate frameworks polymorphs. APL Mater 2:124110
34. Sarkisov L, Martin RL, Haranczyk M, Smit B (2014) On the flexibility of metal-organic
frameworks. J Am Chem Soc 136:2228–2231
35. Tanaka H, Ohsaki S, Hiraide S, Yamamoto D, Watanabe S, Miyahara MT (2014) Adsorptioninduced structural transition of ZIF-8: a combined experimental and simulation study. J Phys
Chem C 118:8445–8454