What interactions can distort the orientational distribution of interfacial water molecules as probed by second harmonic and sum frequency generation?

2016 ◽  
Vol 145 (4) ◽  
pp. 044705 ◽  
Author(s):  
Alex G. F. de Beer ◽  
Sylvie Roke
Keyword(s):  
Second Harmonic ◽  
Sum Frequency Generation ◽  
Water Molecules ◽  
Interfacial Water ◽  
Sum Frequency ◽  
Orientational Distribution ◽  
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>

The structure of a lanthanide complex at an extractant/water interface studied using heterodyne-detected vibrational sum frequency generation

2018 ◽  
Vol 20 (4) ◽  
pp. 2809-2813 ◽  
Author(s):  
Ryoji Kusaka ◽  
Masayuki Watanabe
Keyword(s):  
Lanthanide Complex ◽  
Sum Frequency Generation ◽  
Water Molecules ◽  
Water Interface ◽  
Lower Side ◽  
Sum Frequency ◽  
Frequency Generation

Eu3+ at an extractant/water interface is bound to extractants from the upper side and to water molecules from the lower side, and forms a unique interfacial complex.

Molecular Mie model for second harmonic generation and sum frequency generation

2011 ◽  
Vol 84 (23) ◽  
Author(s):  
Sarina Wunderlich ◽  
Benedikt Schürer ◽  
Christian Sauerbeck ◽  
Wolfgang Peukert ◽  
Ulf Peschel
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Frequency Generation
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