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.

Model Behavior: Characterization of Hydroxyacetone at the Air–Water Interface Using Experimental and Computational Vibrational Sum Frequency Spectroscopy

2018 ◽  
Vol 122 (15) ◽  
pp. 3837-3849 ◽  
Author(s):  
Brittany P. Gordon ◽  
Frederick G. Moore ◽  
Lawrence F. Scatena ◽  
Nicholas A. Valley ◽  
Sumi N. Wren ◽  
...  
Keyword(s):  
Water Interface ◽  
Sum Frequency ◽  
Sum Frequency Spectroscopy ◽  
Air Water Interface ◽  
Vibrational Sum Frequency Spectroscopy

scholarly journals Propofol adsorption at the air/water interface: a combined vibrational sum frequency spectroscopy, nuclear magnetic resonance and neutron reflectometry study

Soft Matter ◽  
2019 ◽  
Vol 15 (1) ◽  
pp. 38-46
Author(s):  
Petru Niga ◽  
Petra M. Hansson-Mille ◽  
Agne Swerin ◽  
Per M. Claesson ◽  
Joachim Schoelkopf ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Neutron Reflectometry ◽  
Water Interface ◽  
Sum Frequency ◽  
Sum Frequency Spectroscopy ◽  
Air Water Interface ◽  
Vibrational Sum Frequency Spectroscopy ◽  
Nuclear Magnetic

Propofol adsorbs at the water interface forming a dense film, sitting tilted and oriented with the OH-group towards the water.

scholarly journals Structure of the Silica/Divalent Electrolyte Interface: Molecular Insight into Charge Inversion with Increasing pH

2020 ◽  
Author(s):  
Mokhtar Rashwan ◽  
Benjamin Rehl ◽  
Adrien Sthoer ◽  
Akemi Darlington ◽  
Md. Shafiul Azam ◽  
...  
Keyword(s):  
Calcium Hydroxide ◽  
Spectral Feature ◽  
Streaming Potential ◽  
Fused Silica ◽  
Interfacial Water ◽  
Sum Frequency ◽  
Colloidal Chemistry ◽  
Water Signal ◽  
Sum Frequency Spectroscopy ◽  
Vibrational Sum Frequency Spectroscopy

The molecular origin of overcharging at mineral oxide surfaces remains a cause of contention within the geochemistry, physics, and colloidal chemistry communities owing to competing “chemical” vs “physical” interpretations. Here, we combine vibrational sum frequency spectroscopy and streaming potential measurements to obtain molecular and macroscopic insights into the pH-dependent interactions of calcium ions with a fused silica surface. In 100 mM CaCl<sub>2</sub> electrolyte, we observe evidence of charge neutralization at pH~10.5, as deducted from a minimum in the interfacial water signal. Concurrently, adsorption of calcium hydroxide cations is inferred from the appearance of a spectral feature at ~3610 cm<sup>-1</sup>. However, the interfacial water signal increases at higher pH, while adsorbed calcium hydroxide appears to remain constant, indicating that overcharging results from hydrated Ca<sup>2+</sup> ions present within the Stern layer. These findings suggest that both specific adsorption of hydrolyzed ions and ion-ion correlations of hydrated ions govern silica overcharging with increasing pH.

scholarly journals Deprotonation of formic acid in collisions with a liquid water surface studied by molecular dynamics and metadynamics simulations

2016 ◽  
Vol 18 (43) ◽  
pp. 29756-29770 ◽  
Author(s):  
Garold Murdachaew ◽  
Gilbert M. Nathanson ◽  
R. Benny Gerber ◽  
Lauri Halonen
Keyword(s):  
Molecular Dynamics ◽  
Formic Acid ◽  
Liquid Water ◽  
Water Surface ◽  
Bulk Liquid ◽  
Water Interface ◽  
Air Water Interface

Formic acid has a lower barrier to deprotonation at the air–water interface than in bulk liquid water.

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