Effect of hydrogen-bond on ultrafast spectral diffusion dynamics of water at charged monolayer interfaces

2019 ◽  
Vol 150 (5) ◽  
pp. 054705 ◽  
Author(s):  
Mohammed Ahmed
Keyword(s):  
Hydrogen Bond ◽  
Spectral Diffusion ◽  
Diffusion Dynamics

scholarly journals On the role of hydrogen-bond exchanges in the spectral diffusion of water

2021 ◽  
Vol 154 (6) ◽  
pp. 064501
Author(s):  
Zeke A. Piskulich ◽  
Damien Laage ◽  
Ward H. Thompson
Keyword(s):  
Hydrogen Bond ◽  
Spectral Diffusion

Studying the spectral diffusion dynamics of chlorophyll a and chlorophyll b using two-dimensional electronic spectroscopy

2019 ◽  
Vol 527 ◽  
pp. 110480 ◽  
Author(s):  
M. Faisal Khyasudeen ◽  
Paweł J. Nowakowski ◽  
Hoang Long Nguyen ◽  
Jamie H.N. Sim ◽  
Thanh Nhut Do ◽  
...  
Keyword(s):  
Chlorophyll A ◽  
Electronic Spectroscopy ◽  
Spectral Diffusion ◽  
Chlorophyll B ◽  
Two Dimensional ◽  
Diffusion Dynamics

Fluctuations of conformational states in biological molecules: theory for anomalous spectral diffusion dynamics

2002 ◽  
Vol 316-317 ◽  
pp. 321-323 ◽  
Author(s):  
A.L. Burin ◽  
Yu.A. Berlin ◽  
A.Z. Patashinski ◽  
M.A. Ratner ◽  
J. Friedrich
Keyword(s):  
Spectral Diffusion ◽  
Biological Molecules ◽  
Conformational States ◽  
Diffusion Dynamics

scholarly journals Water in Hydration Shell of an Azide Ion: Structure and Dynamics of Solute-water Hydrogen Bonds and Vibrational Spectral Diffusion from First Principles Simulations At Supercritical Condition

2019 ◽  
Author(s):  
Anwesa Karmakar
Keyword(s):  
Hydrogen Bond ◽  
Hydration Shell ◽  
Solvation Shell ◽  
Spectral Diffusion ◽  
Supercritical Condition ◽  
Time Dependent ◽  
Dynamics Simulation ◽  
Azide Ion ◽  
Hydrogen Bond Dynamics ◽  
Water Hydrogen

<p>A series of ab initio MD simulations has been carried out for aqueous azide (N<sub>3</sub><sup>-</sup>) ion solutions at three different densities and at supercritical condition (673 K) using Car-Parrinello molecular dynamics simulation. The time dependent trajectories at three different densities have been used to analyze the hydrogen bond dynamics, residence dynamics, dangling OD bond dynamics and spectral diffusion and underlying connections between them. The time dependent frequency of both the OD and NN stretching mode has been calculated using the time series analysis of the wavelet method. The population correlation function approach has been used to compute the hydrogen bond dynamics, dangling OD bond and residence dynamics of the Sc-water both inside and outside the solvation shell of the ion. The faster hydrogen bond dynamics has been observed in the vicinity of the azide ion, however the calculated OD stretching frequency is found to show red shift in the vicinity of the azide ion indicative to the formation of stronger ion-water hydrogen bond even at the supercritical condition. The overall hydrogen bond dynamics at the supercritical condition was faster with respect to the aqueous azide ion solutions at the ambient condition.</p>

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