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Methane Hydrate Crystallization on Sessile Water Droplets
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Hydrogen Bonding Interaction between Atmospheric Gaseous Amides and Methanol
Hailiang Zhao1, Shanshan Tang2, Xiang Xu3
1Environment Research Institute, Shandong University, Shanda South Road 27, Jinan 250100, Shandong, China. zhaohl0211@sina.com.
International Journal of Molecular Sciences
|January 3, 2017
Summary
Hydrogen bonding between methanol and various amides was studied. The carbonyl oxygen and NH group of amides, along with methanol
Area of Science:
- Atmospheric Chemistry
- Computational Chemistry
- Molecular Interactions
Background:
- Amides are key organic nitrogen compounds in the atmosphere.
- Understanding molecular interactions is crucial for atmospheric modeling.
Purpose of the Study:
- To investigate hydrogen-bonded complexes of methanol (MeOH) with several amides.
- To analyze the role of different functional groups in hydrogen bonding interactions.
- To determine the energetic contributions to the stability of these complexes.
Main Methods:
- Computational investigation of hydrogen-bonded complexes.
- Analysis of hydrogen bond donor and acceptor sites.
- Topological and energy decomposition analyses.
Main Results:
- Identified dominant hydrogen bonding between MeOH's OH and amides' carbonyl oxygen, and amides' NH and MeOH's oxygen.
- Found significant contributions from CH group hydrogen bonds to complex stability.
- Observed comparable red shifts in C=O, NH, and OH stretching transitions with intensity enhancement.
Conclusions:
- Hydrogen bonding in MeOH-amide complexes involves carbonyl oxygen, NH groups, and methanol's oxygen.
- CH···O interactions play a notable role in complex stabilization.
- Electrostatic, exchange, and dispersion forces primarily drive the hydrogen bonding interactions.
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