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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Solute-solvent interactions in cryosolutions: a study of halothane-ammonia complexes.
Bart Michielsen1, Johan J J Dom, Benjamin J van der Veken
1Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.
This study investigated C-H···N bonded complexes between halothane and ammonia using spectroscopy. Complexation enthalpies were determined, revealing insights into solvent effects on these interactions.
Area of Science:
- Physical Chemistry
- Spectroscopy
- Intermolecular Forces
Background:
- Halothane and ammonia form C-H···N hydrogen bonds.
- Understanding these interactions is crucial for molecular recognition and solvation studies.
Purpose of the Study:
- To investigate the formation and thermodynamics of halothane-ammonia complexes.
- To analyze the influence of different solvents (argon, krypton, xenon) and phases on complexation.
- To evaluate computational methods for modeling solvent effects.
Main Methods:
- Infrared and Raman spectroscopy were employed.
- Experiments were conducted in liquid rare gases (Ar, Kr, Xe), supersonic jet expansions, and vapor phase mixtures.
- Complexation enthalpies were measured for 1:1 and 1:2 complexes.
Main Results:
- 1:1 and 1:2 complexes of halothane and ammonia were observed in various phases.
- Complexation enthalpies for the 1:1 complex ranged from -17.0 to -20.0 kJ/mol.
- A complexation enthalpy of -31.5 kJ/mol was determined for the 1:2 complex in liquid xenon.
Conclusions:
- Spectroscopic data provide thermodynamic insights into halothane-ammonia complexation.
- Solvent effects significantly influence the stability and properties of these complexes.
- The study offers a critical assessment of computational modeling for cryosolutions.
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