scholarly journals Communication: Vibrational sum-frequency spectrum of the air-water interface, revisited

2016 ◽  
Vol 145 (3) ◽  
pp. 031103 ◽  
Author(s):  
Yicun Ni ◽  
J. L. Skinner
Keyword(s):  
Frequency Spectrum ◽  
Water Interface ◽  
Sum Frequency ◽  
Air Water Interface

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 Spectroscopic BIL-SFG Invariance Hides the Chaotropic Effect of Protons at the Air-Water Interface

Atmosphere ◽  
2018 ◽  
Vol 9 (10) ◽  
pp. 396 ◽  
Author(s):  
Simone Pezzotti ◽  
Marie-Pierre Gaigeot
Keyword(s):  
Water Structure ◽  
Md Simulations ◽  
Interfacial Structure ◽  
Water Interface ◽  
Sum Frequency ◽  
Hydronium Ion ◽  
Sum Frequency Generation Spectroscopy ◽  
Air Water Interface ◽  
Ph Conditions ◽  
Shed Light

The knowledge of the water structure at the interface with the air in acidic pH conditions is of utmost importance for chemistry in the atmosphere. We shed light on the acidic air-water (AW) interfacial structure by DFT-MD simulations of the interface containing one hydronium ion coupled with theoretical SFG (Sum Frequency Generation) spectroscopy. The interpretation of SFG spectra at charged interfaces requires a deconvolution of the signal into BIL (Binding Interfacial Layer) and DL (Diffuse Layer) SFG contributions, which is achieved here, and hence reveals that even though H 3 O + has a chaotropic effect on the BIL water structure (by weakening the 2D-HBond-Network observed at the neat air-water interface) it has no direct probing in SFG spectroscopy. The changes observed experimentally in the SFG of the acidic AW interface from the SFG at the neat AW are shown here to be solely due to the DL-SFG contribution to the spectroscopy. Such BIL-SFG and DL-SFG deconvolution rationalizes the experimental SFG data in the literature, while the hydronium chaotropic effect on the water 2D-HBond-Network in the BIL can be put in perspective of the decrease in surface tension at acidic AW interfaces.

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

scholarly journals Experimentally probing the libration of interfacial water: the rotational potential of water is stiffer at the air/water interface than in bulk liquid

2016 ◽  
Vol 18 (27) ◽  
pp. 18424-18430 ◽  
Author(s):  
Yujin Tong ◽  
Tobias Kampfrath ◽  
R. Kramer Campen
Keyword(s):  
Liquid Water ◽  
Bulk Liquid ◽  
Interfacial Water ◽  
Water Interface ◽  
Sum Frequency ◽  
Sum Frequency Spectroscopy ◽  
Air Water Interface ◽  
Vibrational Sum Frequency Spectroscopy

Vibrational sum frequency spectroscopy measurements reveal that the libration frequency of interfacial water is significantly higher than bulk liquid water, suggesting that water's rotational potential stiffens on moving from the bulk liquid to the air/water interface.

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
Sign in / Sign up

Export Citation Format

Share Document