Vibrational Sum Frequency Generation by the Quadrupolar Mechanism at the Nonpolar Benzene/Air Interface

2013 ◽  
Vol 4 (10) ◽  
pp. 1654-1658 ◽  
Author(s):  
Korenobu Matsuzaki ◽  
Satoshi Nihonyanagi ◽  
Shoichi Yamaguchi ◽  
Takashi Nagata ◽  
Tahei Tahara
Keyword(s):  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Air Interface ◽  
Frequency Generation

Cooperative Adsorption of Trehalose to DPPC Monolayers at the Water–Air Interface Studied with Vibrational Sum Frequency Generation

2019 ◽  
Vol 123 (42) ◽  
pp. 8931-8938
Author(s):  
Katie A. Link ◽  
Gabrielle N. Spurzem ◽  
Aashish Tuladhar ◽  
Zizwe Chase ◽  
Zheming Wang ◽  
...  
Keyword(s):  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Cooperative Adsorption ◽  
Air Interface ◽  
Frequency Generation

scholarly journals Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface

2019 ◽  
Vol 118 (4) ◽  
pp. 1620358 ◽  
Author(s):  
Naveen Kumar Kaliannan ◽  
Andres Henao Aristizabal ◽  
Hendrik Wiebeler ◽  
Frederik Zysk ◽  
Tatsuhiko Ohto ◽  
...  
Keyword(s):  
Sum Frequency Generation ◽  
Coupling Effects ◽  
Vibrational Coupling ◽  
Sum Frequency ◽  
Air Interface ◽  
Frequency Generation

scholarly journals The surface roughness, but not the water molecular orientation varies with temperature at the water–air interface

2015 ◽  
Vol 17 (36) ◽  
pp. 23559-23564 ◽  
Author(s):  
Yuki Nagata ◽  
Taisuke Hasegawa ◽  
Ellen H. G. Backus ◽  
Kota Usui ◽  
Seiji Yoshimune ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Surface Roughness ◽  
Temperature Dependence ◽  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Air Interface ◽  
Frequency Generation

We examine the temperature dependence of the interfacial molecular structure at the water–air interface by combining experimental and simulated sum-frequency generation (SFG) spectroscopy.

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>

Bulk Contributions Modulate the Sum-Frequency Generation Spectra of Interfacial Water on Model Sea-Spray Aerosols

2018 ◽  
Author(s):  
Sandeep K. Reddy ◽  
Raphael Thiraux ◽  
Bethany A. Wellen Rudd ◽  
Lu Lin ◽  
Tehseen Adel ◽  
...  
Keyword(s):  
Single Layer ◽  
Sum Frequency Generation ◽  
Second Order ◽  
Interfacial Structure ◽  
Sea Spray ◽  
Third Order ◽  
Systematic Analysis ◽  
Sum Frequency ◽  
Structure Of Water ◽  
Frequency Generation

Vibrational sum-frequency generation (vSFG) spectroscopy is used to determine the molecular structure of water at the interface of palmitic acid monolayers. Both measured and calculated spectra display speci c features due to third-order contributions to the vSFG response which are associated with nite interfacial electric potentials. We demonstrate that theoretical modeling enables to separate the third-order contributions, thus allowing for a systematic analysis of the strictly surface-sensitive, second-order component of the vSFG response. This study provides fundamental, molecular-level insights into the interfacial structure of water in a neutral surfactant system with relevance to single layer bio-membranes and environmentally relevant sea-spray aerosols. These results emphasize the key role that computer simulations can play in interpreting vSFG spectra and revealing microscopic details of water at complex interfaces, which can be difficult to extract from experiments due to the mixing of second-order, surface-sensitive and third-order, bulk-dependent contributions to the vSFG response.

Sum Frequency Generation Vibrational Spectroscopy of 1,3-Butadiene Hydrogenation on 4 nm Pt@SiO2, Pd@SiO2, and Rh@SiO2 Core–Shell Catalysts

Nano Letters ◽  
2014 ◽  
Vol 15 (1) ◽  
pp. 39-44 ◽  
Author(s):  
James M. Krier ◽  
William D. Michalak ◽  
Xiaojun Cai ◽  
Lindsay Carl ◽  
Kyriakos Komvopoulos ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Sum Frequency Generation ◽  
Core Shell ◽  
Sum Frequency ◽  
Frequency Generation ◽  
Butadiene Hydrogenation
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