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Crystallization and Structural Determination of an Enzyme:Substrate Complex by Serial Crystallography in a Versatile Microfluidic Chip
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Dihydrogen Bond Cooperativity Resolves Zero-Linear Compressibility in an Energetic Crystal.

Ye Cao1, Tianyu Jiang2, Lanxuan Sun2

  • 1State Key Laboratory of High Pressure and Superhard Materials, College of Physics, Jilin University, Changchun, China.

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Researchers discovered trimethylamine borane (TMAB) as the first organic molecular crystal with zero linear compressibility (ZLC). This breakthrough offers enhanced stability for energetic materials under extreme high pressures, crucial for anti-shock applications.

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dihydrogen bondsenergetic materialhigh pressurezero‐linear compressibility

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Area of Science:

  • Materials Science
  • Chemistry
  • Physics

Background:

  • Energetic materials require high stability under extreme pressures for anti-shock applications.
  • Zero linear compressibility (ZLC) is a desirable property for such materials, but achieving it in organic molecular crystals is challenging.

Purpose of the Study:

  • To discover the first organic molecular crystal exhibiting zero linear compressibility (ZLC).
  • To investigate the structure-activity relationship and mechanism behind ZLC in this new material.
  • To explore its potential as a component in advanced propellants.

Main Methods:

  • In situ synchrotron X-ray diffraction was used to analyze structural changes under pressure.
  • Spectroscopic techniques including Raman, infrared, and UV-vis absorption were employed.
  • High-pressure experiments were conducted up to tens of gigapascals.

Main Results:

  • Trimethylamine borane (TMAB) was identified as the first organic molecular crystal with ZLC properties.
  • An isostructural phase transition was observed at 9.2 GPa, with the c axis showing ZLC between 9.2 and 14.0 GPa.
  • The ZLC behavior was attributed to a dihydrogen-bonding cooperativity effect under high pressure.

Conclusions:

  • TMAB demonstrates superior stability under extreme high pressure due to its ZLC property.
  • The study elucidates the mechanism of ZLC in organic molecular crystals, driven by hydrogen bonding.
  • This finding facilitates the design of novel, safer anti-shock energetic materials and propellants.