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Does fluoromethane form a hydrogen bond with water?
1Department of Chemistry, Transylvania University, 300 North Broadway, Lexington, Kentucky 40508, USA. rrosenberg@transy.edu
The Journal of Physical Chemistry. A
|October 13, 2012
Summary
This study investigates if fluorinated organic compounds can form hydrogen bonds. Findings confirm that fluoroorganics like CH3F can form hydrogen bonds, similar to water molecules.
Area of Science:
- Chemical Physics
- Computational Chemistry
- Organic Chemistry
Background:
- Fluorinated organic compounds are vital in pharmaceuticals and agriculture.
- Fundamental properties of fluoroorganics, such as hydrogen bonding, remain poorly understood.
Purpose of the Study:
- To determine if fluoroorganics can participate in hydrogen bonding.
- To compare the hydrogen bonding capabilities of fluoroorganics with well-established systems.
Main Methods:
- Comparative analysis of the CH3F···HOH complex with ten other molecular dimers.
- Evaluation of binding energy, geometry, vibrational frequencies, charge transfer, and electron density topology.
Main Results:
- All analyzed features indicate the formation of a hydrogen bond in the CH3F···HOH complex.
- The hydrogen bond in CH3F···HOH is comparable, though slightly weaker, than that in the water dimer.
Conclusions:
- Fluoroorganics are capable of forming hydrogen bonds.
- The hydrogen bonding characteristics of fluoroorganics are similar to those of water.
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