Structure of water and polymer at the buried polymer/water interface unveiled using heterodyne-detected vibrational sum frequency generation

2020 ◽  
Vol 22 (29) ◽  
pp. 16527-16531
Author(s):  
Anton Myalitsin ◽  
Sanat Ghosh ◽  
Shu-hei Urashima ◽  
Satoshi Nihonyanagi ◽  
Shoichi Yamaguchi ◽  
...  
Keyword(s):  
Molecular Level ◽  
Level Structure ◽  
Sum Frequency Generation ◽  
Water Interface ◽  
Sum Frequency ◽  
Structure Of Water ◽  
Frequency Generation

Heterodyne-detected vibrational sum frequency generation reveals the molecular-level structure of the polymer/water interface that is different from what has been argued.

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>

Bulk Contributions Modulate the Sum-Frequency Generation Spectra of Interfacial Water on Model Sea-Spray Aerosols

2018 ◽  
Author(s):  
Sandeep K. Reddy ◽  
Raphael Thiraux ◽  
Bethany A. Wellen Rudd ◽  
Lu Lin ◽  
Tehseen Adel ◽  
...  
Keyword(s):  
Single Layer ◽  
Sum Frequency Generation ◽  
Second Order ◽  
Interfacial Structure ◽  
Sea Spray ◽  
Third Order ◽  
Systematic Analysis ◽  
Sum Frequency ◽  
Structure Of Water ◽  
Frequency Generation

Vibrational sum-frequency generation (vSFG) spectroscopy is used to determine the molecular structure of water at the interface of palmitic acid monolayers. Both measured and calculated spectra display speci c features due to third-order contributions to the vSFG response which are associated with nite interfacial electric potentials. We demonstrate that theoretical modeling enables to separate the third-order contributions, thus allowing for a systematic analysis of the strictly surface-sensitive, second-order component of the vSFG response. This study provides fundamental, molecular-level insights into the interfacial structure of water in a neutral surfactant system with relevance to single layer bio-membranes and environmentally relevant sea-spray aerosols. These results emphasize the key role that computer simulations can play in interpreting vSFG spectra and revealing microscopic details of water at complex interfaces, which can be difficult to extract from experiments due to the mixing of second-order, surface-sensitive and third-order, bulk-dependent contributions to the vSFG response.

Sum frequency generation study on the structure of water in the vicinity of an amphoteric polymer brush

2012 ◽  
Vol 91 ◽  
pp. 215-218 ◽  
Author(s):  
Takuya Kondo ◽  
Makoto Gemmei-Ide ◽  
Hiromi Kitano ◽  
Kohji Ohno ◽  
Hidenori Noguchi ◽  
...  
Keyword(s):  
Polymer Brush ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Structure Of Water ◽  
Frequency Generation

Sum-frequency generation analyses of the structure of water at amphoteric SAM–liquid water interfaces

2014 ◽  
Vol 121 ◽  
pp. 264-269 ◽  
Author(s):  
Kouji Nomura ◽  
Tadashi Nakaji-Hirabayashi ◽  
Makoto Gemmei-Ide ◽  
Hiromi Kitano ◽  
Hidenori Noguchi ◽  
...  
Keyword(s):  
Liquid Water ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Structure Of Water ◽  
Frequency Generation

The structure of a lanthanide complex at an extractant/water interface studied using heterodyne-detected vibrational sum frequency generation

2018 ◽  
Vol 20 (4) ◽  
pp. 2809-2813 ◽  
Author(s):  
Ryoji Kusaka ◽  
Masayuki Watanabe
Keyword(s):  
Lanthanide Complex ◽  
Sum Frequency Generation ◽  
Water Molecules ◽  
Water Interface ◽  
Lower Side ◽  
Sum Frequency ◽  
Frequency Generation

Eu3+ at an extractant/water interface is bound to extractants from the upper side and to water molecules from the lower side, and forms a unique interfacial complex.

Revealing Molecular-Level Interaction between a Polymeric Drug and Model Membrane Via Sum Frequency Generation and Microfluidics

Langmuir ◽  
2020 ◽  
Vol 36 (6) ◽  
pp. 1615-1622 ◽  
Author(s):  
Chu Wang ◽  
Yongsheng Luo ◽  
Xu Li ◽  
Furong Zhang ◽  
Feng Wang ◽  
...  
Keyword(s):  
Molecular Level ◽  
Sum Frequency Generation ◽  
Model Membrane ◽  
Sum Frequency ◽  
Polymeric Drug ◽  
Frequency Generation
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