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Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study
Open accessAbstract
The pressure-dependent structural evolution of a neutral zinc-imidazolate framework [Zn(2)(C(3)H(3)N(2))(4)](n) (ZnIm) has been investigated. The as-synthesized three-dimensional ZnIm network (alpha-phase) crystallizes in the tetragonal space group I4(1)cd (a = 23.5028(4) A, c = 12.4607(3) A). The ZnIm crystal undergoes a phase transition to a previously unknown beta-phase within the 0.543(5)-0.847(5) GPa pressure range. The tetragonal crystal system is conserved during this transformation, and the beta-phase space group is I4(1) (a = 22.7482(3) A, c = 13.0168(3) A). The physical mechanism by which the transition occurs involves a complex cooperative bond rearrangement process. The room-temperature bulk modulus for ZnIm is estimated to be approximately 14 GPa. This study represents the first example of a high-pressure single-crystal X-ray diffraction analysis of a metal-organic framework.
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Cited by
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Gascon, J., Corma, A., Kapteijn, F., & Llabrés i Xamena, F. X. (2014) · ACS Catalysis · doi:10.1021/cs400959k · Cited by 960
Metal–Organic Frameworks for Air Purification of Toxic Chemicals
DeCoste, J. B., & Peterson, G. W. (2014) · Chemical Reviews · doi:10.1021/cr4006473 · Cited by 958
Tan, J. C., & Cheetham, A. K. (2011) · Chemical Society Reviews · doi:10.1039/c0cs00163e · Cited by 762
Tan, J. C., Bennett, T. D., & Cheetham, A. K. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1003205107 · Cited by 552
Metal–organic frameworks (MOFs) beyond crystallinity: amorphous MOFs, MOF liquids and MOF glasses
Fonseca, J., Gong, T., Jiao, L., & Jiang, H.-L. (2021) · Journal of Materials Chemistry A · doi:10.1039/d1ta01043c · Cited by 543
Metadata
- Authors
- Spencer, E. C., Angel, R. J., Ross, N. L., Hanson, B. E., & Howard, J. A. K.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-03-02
- Volume
- 131
- Issue
- 11
- Pages
- 4022-4026
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2018063466
- Cited by
- 170
- References
- 0
- FWCI
- 7.79
- Type
- journal article
- Language
- en
- Open access
- green
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