Determining electronic spectra at interfaces by electronic sum frequency generation: One- and two-photon double resonant oxazine 750 at the air/water interface

2006 ◽  
Vol 125 (19) ◽  
pp. 194711 ◽  
Author(s):  
Shoichi Yamaguchi ◽  
Tahei Tahara
Keyword(s):  
Electronic Spectra ◽  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Two Photon ◽  
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>

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

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

scholarly journals Adsorption of benzonitrile at the air/water interface studied by sum frequency generation spectroscopy

2013 ◽  
Vol 58 (13) ◽  
pp. 1529-1535 ◽  
Author(s):  
AnAn Liu ◽  
Zhi Huang ◽  
GangHua Deng ◽  
Yuan Guo
Keyword(s):  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Air Water Interface ◽  
Frequency Generation

scholarly journals Sum frequency generation, calculation of absolute intensities, comparison with experiments, and two-field relaxation-based derivation

2020 ◽  
Vol 117 (6) ◽  
pp. 2805-2814 ◽  
Author(s):  
Kai Niu ◽  
Rudolph A. Marcus
Keyword(s):  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Single Term ◽  
Mechanical Formulation ◽  
Air Water Interface ◽  
Statistical Mechanical ◽  
The Absolute ◽  
Frequency Generation ◽  
Motional Narrowing

The experimental sum frequency generation (SFG) spectrum is the response to an infrared pulse and a visible pulse and is a highly surface-sensitive technique. We treat the surface dangling OH bonds at the air/water interface and focus on the absolute SFG intensities for the resonant terms, a focus that permits insight into the consequences of some approximations. For the polarization combinations, the calculated linewidths for the water interface dangling OH SFG band at 3,700 cm−1 are, as usual, too large, because of the customary neglect of motional narrowing. The integrated spectrum is used to circumvent this problem and justified here using a Kubo-like formalism and theoretical integrated band intensities rather than peak intensities. Only relative SFG intensities are usually reported. The absolute integrated SFG intensities for three polarization combinations for sum frequency, visible, and infrared beams are computed. We use molecular dynamics and the dipole and the polarizability matrix elements obtained from infrared and Raman studies of H2O vapor. The theoretical expressions for two of the absolute susceptibilities contain only a single term and agree with experiment to about a factor of 1.3, with no adjustable parameters. The Fresnel factors are included in that comparison. One of the susceptibilities contains instead four positive and negative terms and agrees less well. The expression for the SFG correlation function is normally derived from a statistical mechanical formulation using a time-evolving density matrix. We show how a derivation based on a two-field relaxation leads to the same final result.

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