Journal article
Structural Integrities of Symmetric and Unsymmetric trans -Bis-pyridyl Ethylene Powders Exposed to Gamma Radiation: Packing and Electronic Considerations Assisted by Electron Diffraction
Crystal growth & design, Vol.24(21), pp.8899-8906
11/06/2024
DOI: 10.1021/acs.cgd.4c00895
Appears in UI Libraries Support Open Access
Abstract
Radiation detection (dosimetry) most commonly uses scintillating materials in a wide array of fields, ranging from energy to medicine. Scintillators must be able to not only fluoresce owing to the presence of a suitable chromophore but also withstand damage from radiation over prolonged periods of time. While it is inevitable that radiation will cause damage to the physical and chemical properties of materials, there is limited understanding of features within solid-state scintillators that afford increased structural integrity upon exposure to gamma (γ) radiation. Even fewer studies have evaluated both physical- and atomistic-level properties of organic solid-state materials. Previous work demonstrated cocrystalline materials afford radiation resistance in comparison to the single component counterparts, as realized by trans-1,2-bis(4-pyridyl)ethylene (4,4′-bpe). To support the rational design of radiation-resistant scintillators, we have examined all symmetric and unsymmetric isomers of trans-1-(n-pyridyl)2-(m-pyridyl)ethylene (n,m′-bpe, where n and/or m = 2, 3, or 4) solid-state crystalline materials. Experimental methods employed include single-crystal, powder, and electron diffraction as well as solid-state fluorimetry. Periodic density functional theory (DFT) calculations were used to understand the atomistic-level differences in bond lengths, bond orders, and packing. Electron diffraction was also utilized to determine the structure of a nanocrystalline sample. The results provide insights into possible trends involving factors such as molecular symmetry which provides radiation resistance as well as information for rationally designing single and multicomponent scintillators with the intent of minimizing changes upon γ-radiation exposure.
Details
- Title: Subtitle
- Structural Integrities of Symmetric and Unsymmetric trans -Bis-pyridyl Ethylene Powders Exposed to Gamma Radiation: Packing and Electronic Considerations Assisted by Electron Diffraction
- Creators
- Samantha J. Kruse - University of IowaPierre Le Magueres - Rigaku Americas Corporation, 9009 New Trails Drive, The Woodlands, Texas 77381, United StatesEric W. Reinheimer - Rigaku Americas Corporation, 9009 New Trails Drive, The Woodlands, Texas 77381, United StatesTori Z. Forbes - University of IowaLeonard R. MacGillivray - University of Iowa
- Resource Type
- Journal article
- Publication Details
- Crystal growth & design, Vol.24(21), pp.8899-8906
- Publisher
- American Chemical Society
- DOI
- 10.1021/acs.cgd.4c00895
- ISSN
- 1528-7483
- eISSN
- 1528-7505
- Grant note
- National Science Foundation Graduate Research Fellowship Program (NSF): GRFP-1945994
We thank the National Science Foundation Graduate Research Fellowship Program (NSF GRFP-1945994), for financial support. We also thank the University of Iowa Free Radical and Radiation Biology Program for assistance with irradiating our materials. In addition, we thank Professor Peter Burns, Jennifer Syzmanowski, and Dr. Ginger Sigmon for their help collecting fluorescence data at the University of Notre Dame.
- Language
- English
- Electronic publication date
- 10/16/2024
- Date published
- 11/06/2024
- Academic Unit
- Core Research Facilities; Chemistry; Civil and Environmental Engineering
- Record Identifier
- 9984737360302771
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