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Title: Engineering Supramolecular Hybrid Architectures with Directional Organofluorine Bonds

Journal Article · · Small Science
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  1. Institute of Materials Science University of Connecticut Storrs CT 06269 USA, Department of Chemistry University of Connecticut Storrs CT 06269 USA
  2. Molecular Biophysics and Integrated Bioimaging Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA
  3. Advanced Photon Technology Division RIKEN SPring-8 Center 1-1-1 Kouto Sayo Hyogo 679-5148 Japan
  4. Advanced Photon Technology Division RIKEN SPring-8 Center 1-1-1 Kouto Sayo Hyogo 679-5148 Japan, XFEL Utilization Division Japan Synchrotron Radiation Research Institute 1-1-1 Kouto Sayo Hyogo 679-5198 Japan
  5. XFEL Utilization Division Japan Synchrotron Radiation Research Institute 1-1-1 Kouto Sayo Hyogo 679-5198 Japan, Structural Biology Research Center Photon Factory Institute of Materials Structure Science High Energy Accelerator Research Organization 1-1 Oho Tsukuba Ibaraki 305-0801 Japan
  6. Linac Coherent Light Source SLAC National Accelerator Laboratory Menlo Park CA 94025 USA
  7. National Energy Research Scientific Computing Center Lawrence Berkeley National Laboratory Berkeley CA 94720 USA
  8. Department of Chemistry University of Connecticut Storrs CT 06269 USA
+ Show Author Affiliations

Understanding how chemical modifications alter the atomic‐scale organization of materials is of fundamental importance in materials engineering and the target of considerable efforts in computational prediction. Incorporating covalent and noncovalent interactions in designing crystals while “piggybacking” on the driving force of molecular self‐assembly has augmented efforts to understand the emergence of complex structures using directed synthesis. In this work, microcrystalline powders of the silver 2‐, 3‐, and 4‐fluorobenzenethiolates are prepared and their structures are resolved by small‐molecule serial femtosecond X‐ray crystallography. These three compounds enable the emergence and role of supramolecular synthons in the crystal structures of 3D metal‐organic chalcogenolates to be examined. The unique divergence in their optoelectronic, morphological, and structural behaviors is assessed. The extent of CHF interactions and their influence on the structure and the observed trends in the thermal stability of the crystals are quantified through theoretical calculations and thermogravimetric analysis.

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0022215
OSTI ID:
2229972
Alternate ID(s):
OSTI ID: 2229974
Journal Information:
Small Science, Journal Name: Small Science Journal Issue: 1 Vol. 4; ISSN 2688-4046
Publisher:
Wiley Blackwell (John Wiley & Sons)Copyright Statement
Country of Publication:
Germany
Language:
English

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