Intermolecular vibrational modes and H-bond interactions in crystalline urea investigated by terahertz spectroscopy and theoretical calculation

2018 ◽  
Vol 189 ◽  
pp. 528-534 ◽  
Author(s):  
Yonghong Zhao ◽  
Zhi Li ◽  
Jianjun Liu ◽  
Cong Hu ◽  
Huo Zhang ◽  
...  
Keyword(s):  
Theoretical Calculation ◽  
Terahertz Spectroscopy ◽  
Vibrational Modes ◽  
Crystalline Urea

Intermolecular weak interaction of imidacloprid investigated by terahertz spectroscopy and theoretical calculation

Optik ◽  
2021 ◽  
pp. 167063
Author(s):  
Yun Li ◽  
Binyi Qin ◽  
Jincun Zheng ◽  
Yongjin Gan ◽  
Ruizhao Yang
Keyword(s):  
Theoretical Calculation ◽  
Weak Interaction ◽  
Terahertz Spectroscopy

Identifying and explaining vibrational modes of quinacridones via temperature-resolved terahertz spectroscopy: absorption experiments and solid-state density functional theory simulations

2020 ◽  
Vol 22 (35) ◽  
pp. 19672-19679 ◽  
Author(s):  
A. D. Squires ◽  
Adam J. Zaczek ◽  
R. A. Lewis ◽  
Timothy M. Korter
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Density Functional ◽  
Terahertz Spectroscopy ◽  
State Density ◽  
Spectral Features ◽  
Thermal Contraction ◽  
Vibrational Modes ◽  
Functional Theory

New spectral features and anomalous shifting of vibrational modes of beta quinacridone are revealed, unusual thermal contraction the likely origin.

scholarly journals Time-Resolved Terahertz Spectroscopy of Condensed Phase Reactions

1999 ◽  
Vol 19 (1-4) ◽  
pp. 145-148
Author(s):  
Richard McElroy ◽  
Klaas Wynne
Keyword(s):  
Terahertz Spectroscopy ◽  
Low Frequency ◽  
Electronic States ◽  
Carrier Dynamics ◽  
Solvation Dynamics ◽  
Vibrational Modes ◽  
Time Resolved ◽  
Condensed Phase Reactions ◽  
Probe Spectroscopy ◽  
First Time

Ultrafast time-resolved visible-pump, far-IR (THz) probe spectroscopy has been developed in our lab and has been applied to study carrier dynamics in photoexcited GaAs and dipole solvation dynamics in betaine and p-nitroaniline. This type of spectroscopy enables us to study for the first time the nonequilibrium interaction between excited electronic states and low frequency vibrational modes.

scholarly journals Broadband Terahertz Spectroscopy of Phonon-Polariton Dispersion in Ferroelectrics

Photonics ◽  
2018 ◽  
Vol 5 (4) ◽  
pp. 55 ◽  
Author(s):  
Seiji Kojima
Keyword(s):  
Electromagnetic Waves ◽  
Terahertz Spectroscopy ◽  
Far Infrared ◽  
Longitudinal Optical ◽  
Vibrational Modes ◽  
Terahertz Time Domain Spectroscopy ◽  
Raman Scattering Spectroscopy ◽  
Longitudinal Optical Mode ◽  
Relationship Of ◽  
The Relationship

Electromagnetic waves at frequencies below the X-ray region strongly couple to the optical vibrational modes in a solid. These coupled excitations have been called phonon polaritons. The relationship of the polariton frequency versus the polariton wavevector shows a remarkable dispersion, especially in the vicinity of the transverse and longitudinal optical mode frequencies. The significant frequency dependence enables valuable applications such as a tunable terahertz radiation source. The polariton dispersion relations of technologically important dielectric and ferroelectric crystals were reviewed in the broad terahertz range using terahertz time-domain spectroscopy, far-infrared spectroscopy, and Raman scattering spectroscopy.

Ultrafast carrier dynamics in BiVO4 thin film photoanode material: interplay between free carriers, trapped carriers and low-frequency lattice vibrations

2016 ◽  
Vol 4 (47) ◽  
pp. 18516-18523 ◽  
Author(s):  
K. T. Butler ◽  
B. J. Dringoli ◽  
L. Zhou ◽  
P. M. Rao ◽  
A. Walsh ◽  
...  
Keyword(s):  
First Principles ◽  
Terahertz Spectroscopy ◽  
Low Frequency ◽  
Carrier Dynamics ◽  
Vibrational Modes ◽  
Lattice Vibrations ◽  
Time Resolved ◽  
Ultrafast Carrier Dynamics ◽  
Free Carriers ◽  
Ultrafast Carrier

We explore ultrafast carrier dynamics and interactions of photoexcited carriers with lattice vibrational modes in BiVO4 using time-resolved terahertz spectroscopy and first-principles phonon spectrum calculations.

Application of terahertz spectroscopy and theoretical calculation in dimethylurea isomers investigation

2018 ◽  
Vol 192 ◽  
pp. 336-342 ◽  
Author(s):  
Yonghong Zhao ◽  
Zhi Li ◽  
Jianjun Liu ◽  
Tao Chen ◽  
Huo Zhang ◽  
...  
Keyword(s):  
Theoretical Calculation ◽  
Terahertz Spectroscopy

scholarly journals Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy

2018 ◽  
Author(s):  
Wei Zhang ◽  
Jefferson Maul ◽  
Diana Vulpe ◽  
Peyman Z. Moghadam ◽  
David Fairen-jimenez ◽  
...  
Keyword(s):  
Terahertz Spectroscopy ◽  
State Of The Art ◽  
Metal Organic Frameworks ◽  
Low Frequency ◽  
Structural Response ◽  
Vibrational Modes ◽  
Supramolecular Materials ◽  
Metal Organic ◽  
Temperature And Pressure ◽  
External Stimuli

<div>The identification of low-frequency vibrational motions of metal-organic frameworks (MOFs) allows for a full understanding of their mechanical and structural response upon perturbation by external stimuli such as temperature, pressure, and adsorption. Here, we describe the unique combination of an experimental temperature- and pressure-dependent terahertz spectroscopy system with state-of-the-art quantum mechanical simulation to measure and atomistically assign specific low-frequency vibrational modes that directly drive the mechanochemical properties of this important class of porous materials. Our work highlights the complex interplay between structural, vibrational, and mechanochemical phenomena, all of which are key to the effective exploitation of MOFs. We demonstrate the critical importance of terahertz vibrational motions on the function of MOFs, and how this information can be measured and interpreted in a method that can be applied widely to any supramolecular materials. </div><div><br></div>

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