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>

scholarly journals Surface-specific vibrational spectroscopy of the water/silica interface: screening and interference

2017 ◽  
Vol 19 (25) ◽  
pp. 16875-16880 ◽  
Author(s):  
Jan Schaefer ◽  
Grazia Gonella ◽  
Mischa Bonn ◽  
Ellen H. G. Backus
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectroscopy ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Frequency Generation

Surface-specific vibrational sum-frequency generation spectroscopy (V-SFG) is used to obtain information about the molecular structure at charged interfaces.

scholarly journals Mapping Molecular Orientation with Phase Sensitive Vibrationally Resonant Sum-Frequency Generation Microscopy

2013 ◽  
Vol 117 (20) ◽  
pp. 6149-6156 ◽  
Author(s):  
Yang Han ◽  
Varun Raghunathan ◽  
Ran-ran Feng ◽  
Hiroaki Maekawa ◽  
Chao-Yu Chung ◽  
...  
Keyword(s):  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Phase Sensitive ◽  
Frequency Generation

scholarly journals Study of the molecular orientation of steroidal side chains at polyimide surfaces using sum frequency generation vibrational spectroscopy

2021 ◽  
Vol 155 (8) ◽  
pp. 084702
Author(s):  
Trinh Thi Nguyen ◽  
Hien Thi Thu Khuat ◽  
Shinya Asakura ◽  
Goro Mizutani ◽  
Yoshitaka Murakami ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Side Chains ◽  
Sum Frequency ◽  
Frequency Generation

The study of polythiophene/water interfaces by sum-frequency generation spectroscopy and molecular dynamics simulations

2015 ◽  
Vol 3 (31) ◽  
pp. 6429-6438 ◽  
Author(s):  
S. Bellani ◽  
M. Porro ◽  
C. Caddeo ◽  
M. I. Saba ◽  
P. B. Miranda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Frequency Generation ◽  
Dynamics Simulations

Polythiophene/water interfaces are investigated by sum frequency generation spectroscopy and molecular dynamics simulations, showing a preferential edge-on molecular orientation.

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

Molecular Orientation of Asphaltenes and PAH Model Compounds in Langmuir−Blodgett Films Using Sum Frequency Generation Spectroscopy

Langmuir ◽  
2011 ◽  
Vol 27 (10) ◽  
pp. 6049-6058 ◽  
Author(s):  
A. Ballard Andrews ◽  
Arthur McClelland ◽  
Oona Korkeila ◽  
Alexander Demidov ◽  
Amber Krummel ◽  
...  
Keyword(s):  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Model Compounds ◽  
Sum Frequency ◽  
Langmuir Blodgett ◽  
Sum Frequency Generation Spectroscopy ◽  
Langmuir Blodgett Films ◽  
Frequency Generation

Sum-frequency generation of acetate adsorption on Au and Pt surfaces: Molecular structure effects

2010 ◽  
Vol 133 (23) ◽  
pp. 234702 ◽  
Author(s):  
Björn Braunschweig ◽  
Prabuddha Mukherjee ◽  
Robert B. Kutz ◽  
Andrzej Wieckowski ◽  
Dana D. Dlott
Keyword(s):  
Molecular Structure ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Frequency Generation
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