Time-Resolved in Situ Polymorphic Transformation from One 12-Connected Zr-MOF to Another

Seung Joon Lee, Jenna L. Mancuso, Khoa N. Le, Christos D. Malliakas, Youn Sang Bae, Christopher H. Hendon, Timur Islamoglu, Omar K. Farha

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Understanding polymorphism in metal-organic frameworks (MOFs) provides opportunities to unravel the process of MOF crystallization, and it enables the elucidation of structure-property relationships of compositionally identical crystals. Here, we present the modulator- and temperature-mediated polymorphic transformation of the kinetic product from Zr6-based MOF synthesis, EHU-30, to the thermodynamic product, UiO-66. The partial dissolution-recrystallization process was demonstrated by a combination of in situ powder X-ray diffraction (PXRD) and in situ 1H NMR spectroscopy where EHU-30 was heated in the presence of a monotopic acid modulator, acetic acid. Density functional theory (DFT) calculations show that the EHU-30 polymorph is less stable because the bent linkers have higher Gibbs free energy compared to linear linkers in the thermodynamic product, UiO-66.

Original languageEnglish
Pages (from-to)499-504
Number of pages6
JournalACS Materials Letters
Volume2
Issue number5
DOIs
Publication statusPublished - 2020 May 4

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Materials Science(all)
  • Biomedical Engineering

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    Lee, S. J., Mancuso, J. L., Le, K. N., Malliakas, C. D., Bae, Y. S., Hendon, C. H., Islamoglu, T., & Farha, O. K. (2020). Time-Resolved in Situ Polymorphic Transformation from One 12-Connected Zr-MOF to Another. ACS Materials Letters, 2(5), 499-504. https://doi.org/10.1021/acsmaterialslett.0c00012