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Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study

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Spencer, Elinor C., Angel, Ross J., Ross, Nancy L., Hanson, Brian E., Howard, Judith A. K.·2009·Journal of the American Chemical Society

Abstract

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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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
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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CoChat. (2026). Citation check: Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study. https://app.cochat.ai/papers/10.1021/ja808531m
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Spencer, E. C., Angel, R. J., Ross, N. L., Hanson, B. E., & Howard, J. A. K. (2009). Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study. Journal of the American Chemical Society. https://doi.org/10.1021/ja808531m

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