A theoretical study of sum-frequency generation for chiral solutions near electronic resonance

2015 ◽  
Vol 17 (31) ◽  
pp. 20296-20300
Author(s):  
Ren-hui Zheng ◽  
Wen-mei Wei ◽  
Qiang Shi
Keyword(s):  
Theoretical Study ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Frequency Generation ◽  
Electronic Resonance

We present a method of computing the SFG intensity in or near electronic resonance including vibronic contributions.

Bend Vibration of Surface Water Investigated by Heterodyne-Detected Sum Frequency Generation and Theoretical Study: Dominant Role of Quadrupole

2016 ◽  
Vol 7 (13) ◽  
pp. 2597-2601 ◽  
Author(s):  
Achintya Kundu ◽  
Shogo Tanaka ◽  
Tatsuya Ishiyama ◽  
Mohammed Ahmed ◽  
Ken-ichi Inoue ◽  
...  
Keyword(s):  
Surface Water ◽  
Theoretical Study ◽  
Dominant Role ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Frequency Generation

Theoretical Study on Structure and Sum-Frequency Generation (SFG) Spectroscopy of Styrene–Graphene Adsorption System

2013 ◽  
Vol 117 (4) ◽  
pp. 1754-1760 ◽  
Author(s):  
Chih-Kai Lin ◽  
Chun-Chi Shih ◽  
Yingli Niu ◽  
Min-Yeh Tsai ◽  
Ying-Jen Shiu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Sum Frequency Generation ◽  
Adsorption System ◽  
Sum Frequency ◽  
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>

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