Interfacial Molecular Structure and Dynamics at Solid Surface Studied by Sum Frequency Generation Spectroscopy

Sum Frequency ◽

Surface-specific vibrational sum-frequency generation spectroscopy (V-SFG) is used to obtain information about the molecular structure at charged interfaces.

Structure and Dynamics of Interfacial Peptides and Proteins from Vibrational Sum-Frequency Generation Spectroscopy

Chemical Reviews ◽

10.1021/acs.chemrev.9b00410 ◽

2020 ◽

Vol 120 (7) ◽

pp. 3420-3465 ◽

Cited By ~ 12

Author(s):

Saman Hosseinpour ◽

Steven J. Roeters ◽

Mischa Bonn ◽

Wolfgang Peukert ◽

Sander Woutersen ◽

...

Keyword(s):

Sum Frequency ◽

Structure And Dynamics ◽

Time-dependent vibrational sum-frequency generation spectroscopy of the air-water interface

Communications Chemistry ◽

10.1038/s42004-019-0220-6 ◽

2019 ◽

Vol 2 (1) ◽

Cited By ~ 6

Author(s):

Deepak Ojha ◽

Naveen Kumar Kaliannan ◽

Thomas D. Kühne

Keyword(s):

Time Dependent ◽

Water Molecules ◽

Water Interface ◽

Sum Frequency ◽

Generation Spectrum ◽

Structure And Dynamics ◽

Air Water Interface ◽

Abstract Vibrational sum-frequency generation spectroscopy is a powerful method to study the microscopic structure and dynamics of interfacial systems. Here we demonstrate a simple computational approach to calculate the time-dependent, frequency-resolved vibrational sum-frequency generation spectrum (TD-vSFG) of the air-water interface. Using this approach, we show that at the air-water interface, the transition of water molecules with bonded OH modes to free OH modes occurs at a time scale of $$\sim$$ ~ 3 ps, whereas water molecules with free OH modes rapidly make a transition to a hydrogen-bonded state within $$\sim$$ ~ 2 ps. Furthermore, we also elucidate the origin of the observed differential dynamics based on the time-dependent evolution of water molecules in the different local solvent environments.

Molecular Structure of Hydrophobins Studied with Site-Directed Mutagenesis and Vibrational Sum-Frequency Generation Spectroscopy

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b08865 ◽

2017 ◽

Vol 121 (40) ◽

pp. 9398-9402 ◽

Cited By ~ 10

Author(s):

K. Meister ◽

A. Paananen ◽

B. Speet ◽

M. Lienemann ◽

H. J. Bakker

Keyword(s):

Molecular Structure ◽

Site Directed Mutagenesis ◽

Directed Mutagenesis ◽

Sum Frequency ◽

Structure and dynamics of water at water–graphene and water–hexagonal boron-nitride sheet interfaces revealed by ab initio sum-frequency generation spectroscopy

Physical Chemistry Chemical Physics ◽

10.1039/c8cp01351a ◽

2018 ◽

Vol 20 (18) ◽

pp. 12979-12985 ◽

Cited By ~ 18

Author(s):

Tatsuhiko Ohto ◽

Hirokazu Tada ◽

Yuki Nagata

Keyword(s):

Molecular Dynamics ◽

Boron Nitride ◽

Ab Initio ◽

Hexagonal Boron Nitride ◽

Sum Frequency ◽

Structure And Dynamics ◽

Frequency Generation ◽

Dynamics Simulations

We simulate sum-frequency generation (SFG) spectra of isotopically diluted water at the water–graphene and water–hexagonal boron-nitride (hBN) sheet interfaces, using ab initio molecular dynamics simulations.