scholarly journals Molecular rotation in 3 dimensions at an air/water interface using femtosecond time resolved sum frequency generation

2019 ◽  
Vol 150 (9) ◽  
pp. 094709 ◽  
Author(s):  
Yi Rao ◽  
Yuqin Qian ◽  
Gang-Hua Deng ◽  
Ashlie Kinross ◽  
Nicholas J. Turro ◽  
...  
Keyword(s):  
Sum Frequency Generation ◽  
Molecular Rotation ◽  
Water Interface ◽  
Time Resolved ◽  
Sum Frequency ◽  
Air Water Interface ◽  
Frequency Generation

Temperature Dependence of the Air/Water Interface Revealed by Polarization Sensitive Sum-Frequency Generation Spectroscopy

2018 ◽  
Author(s):  
Daniel R. Moberg ◽  
Shelby C. Straight ◽  
Francesco Paesani
Keyword(s):  
Temperature Dependence ◽  
Low Frequency ◽  
Potential Energy Function ◽  
Md Simulations ◽  
Sum Frequency Generation ◽  
Water Molecules ◽  
Water Interface ◽  
Sum Frequency ◽  
Air Water Interface ◽  
Frequency Generation

<div> <div> <div> <p>The temperature dependence of the vibrational sum-frequency generation (vSFG) spectra of the the air/water interface is investigated using many-body molecular dynamics (MB-MD) simulations performed with the MB-pol potential energy function. The total vSFG spectra calculated for different polarization combinations are then analyzed in terms of molecular auto-correlation and cross-correlation contributions. To provide molecular-level insights into interfacial hydrogen-bonding topologies, which give rise to specific spectroscopic features, the vSFG spectra are further investigated by separating contributions associated with water molecules donating 0, 1, or 2 hydrogen bonds to neighboring water molecules. This analysis suggests that the low frequency shoulder of the free OH peak which appears at ∼3600 cm−1 is primarily due to intermolecular couplings between both singly and doubly hydrogen-bonded molecules. </p> </div> </div> </div>

Duramycin-Induced Destabilization of a Phosphatidylethanolamine Monolayer at the Air−Water Interface Observed by Vibrational Sum-Frequency Generation Spectroscopy

Langmuir ◽  
2010 ◽  
Vol 26 (20) ◽  
pp. 16055-16062 ◽  
Author(s):  
Izabela I. Rzeźnicka ◽  
Maria Sovago ◽  
Ellen H. G. Backus ◽  
Mischa Bonn ◽  
Taro Yamada ◽  
...  
Keyword(s):  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Air Water Interface ◽  
Frequency Generation
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