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Interactive Molecular Model Assembly with 3D Printing
Published on: August 13, 2020
Energetics of conformational conversion between 1,1,2-trichloroethane polymorphs
Maciej Bujak1, Marcin Podsiadło, Andrzej Katrusiak
1Institute of Chemistry, University of Opole, Oleska 48, Opole, Poland.
Chemical Communications (Cambridge, England)
|September 20, 2008
Summary
Pressure influences molecular structure, causing 1,1,2-trichloroethane to change between gauche- and transoid conformations. Researchers quantified interaction energies, conversion energies, and latent heat, revealing key thermodynamic properties.
Area of Science:
- Solid-state chemistry
- Molecular physics
- Crystallography
Background:
- 1,1,2-trichloroethane exhibits conformational isomerism.
- Understanding pressure effects on molecular conformations is crucial for materials science.
Purpose of the Study:
- To investigate pressure-induced conformational changes in 1,1,2-trichloroethane.
- To determine the thermodynamic parameters associated with these transformations.
Main Methods:
- X-ray single-crystal diffraction was employed to observe structural changes.
- Thermodynamic properties including interaction energies and latent heat were calculated.
Main Results:
- Evidence of pressure-induced transformations between gauche-, gauche+, and transoid conformations was obtained.
- Energies of intermolecular interactions and conformational conversion were determined.
- Latent heat associated with the phase transitions was quantified.
Conclusions:
- Pressure significantly alters the conformational landscape of 1,1,2-trichloroethane in the solid state.
- The determined thermodynamic data provide valuable insights into molecular behavior under pressure.
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