THz reflection spectroscopy of liquid water

Thrane, Lars; Jacobsen, Rune Hylsberg; Jepsen, Peter Uhd; Keiding, Søren Rud

doi:10.1016/0009-2614(95)00543-d

Cited by 316 publications

(210 citation statements)

References 18 publications

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“…[16][17][18][19][20] Experimentally, time-domain techniques such as fluorescence up-conversion, 2 optical Kerr effect ͑OKE͒ [3][4][5] and THz spectroscopy, 6,7 in addition to frequency-domain spectroscopies such as Raman [8][9][10] and infrared ͑IR͒ [11][12][13][14][15] have been employed to gain a detailed understanding of the intermolecular and intramolecular motions and dynamics of liquid water. Theoretical studies of aqueous solvation 16 have included simulations ranging from predictions of the IR and Raman spectra, [20][21][22][23] to calculations of the solvation relaxation function S(t), 17,19,23,24 and the third order response.…”

Section: Introductionmentioning

confidence: 99%

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Aqueous solvation dynamics studied by photon echo spectroscopy

Lang

Jordanides

Song

et al. 1999

The Journal of Chemical Physics

131

160

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Three-pulse photon echo peak shift measurements were employed to study aqueous solvation dynamics. A new perspective of dielectric continuum theory [X. Song and D. Chandler, J. Chem. Phys. 108, 2594 (1998)] aided in characterizing the system-bath interactions of eosin in water. Application of this theory provides solvation energies, which were used within the spectral density representation ρ(ω), to calculate the experimental peak shift. Simulations with only solvation contributions to ρ(ω), where a substantial amplitude of the solvation occurs within ∼30 fs, are remarkably consistent with our data. Furthermore, simulations using this theoretical solvation spectral density and an experimentally determined intramolecular spectral density yield an excellent total simulation of the peak shift data over the entire dynamic range. Our experimental results substantiate predictions that interaction-induced polarizability effects, contributing via a ∼180 cm−1 band in the spectral density, influence the initial dynamics. Three-pulse photon echo peak shift measurements were employed to study aqueous solvation dynamics. A new perspective of dielectric continuum theory ͓X. Song and D. Chandler, J. Chem. Phys. 108, 2594 ͑1998͔͒ aided in characterizing the system-bath interactions of eosin in water. Application of this theory provides solvation energies, which were used within the spectral density representation ͑͒, to calculate the experimental peak shift. Simulations with only solvation contributions to ͑͒, where a substantial amplitude of the solvation occurs within ϳ30 fs, are remarkably consistent with our data. Furthermore, simulations using this theoretical solvation spectral density and an experimentally determined intramolecular spectral density yield an excellent total simulation of the peak shift data over the entire dynamic range. Our experimental results substantiate predictions that interaction-induced polarizability effects, contributing via a ϳ180 cm Ϫ1 band in the spectral density, influence the initial dynamics.

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Section: Introductionmentioning

confidence: 99%

“…However, its appearance in the far IR is more controversial. 6,15,22 The experimental data 13,14 used to calculate the spectral density in this range resolves a broad and very weak shoulder on the 200 cm Ϫ1 band at 50 cm…”

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confidence: 99%

Aqueous solvation dynamics studied by photon echo spectroscopy

Lang

Jordanides

Song

et al. 1999

The Journal of Chemical Physics

131

160

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“…Many studies on water clusters have been carried out not only to investigate the role of water clusters in biological and chemical systems but also to understand the nature of hydrogen bonding. [8][9][10][11][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] Caleman and Spoel 29 studied the evaporation from water clusters containing singly charged ions to examine the effect of the presence of ions on the evaporation of water droplets.…”

Section: Introductionmentioning

confidence: 99%

Structural Arrangement of Water Molecules around Highly Charged Nanoparticles: Molecular Dynamics Simulation

Kim¹,

Yeom²

2014

Bulletin of the Korean Chemical Society

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Molecular dynamics simulations were performed to understand the structural arrangement of water molecules around highly charged nanoparticles under aqueous conditions. The effect of two highly charged nanoparticles on the solvation charge asymmetry has been examined. We calculated the radial distribution functions of the components of water molecules around nanoparticles which have four charge types at two different salt concentrations. Even though the distributions of water molecules surrounding a sodium ion and a chloride ion are hardly affected by the charges of nanoparticles and the salt concentrations, those around highly charged nanoparticles are strongly influenced by the charges of nanoparticles, but hardly by the charges of nanoparticles and salt concentrations. We find that the distributions of hydrogen atoms in water molecules around one highly charged nanoparticle are dependent on the magnitude of the nanoparticle charge.

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“…Using implicit function theorem, a rigourous error propagation as well as a simplified model are presented. This paper focuses on the analysis of TDS spectra in transmission geometry [3], although the conclusions are transferable to other geometries such as reflection [25], ellipsometry [26], interferometry [27] or differential TDS [28].…”

Section: Introductionmentioning

confidence: 99%

Uncertainty and Ambiguity in Terahertz Parameter Extraction and Data Analysis

Krüger

Funkner

Bründermann

et al. 2010

J Infrared Milli Terahz Waves

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Phase sensitive measurement techniques, such as THz time-domain spectroscopy or dispersive Fourier transform spectroscopy, are very useful tools to obtain a complete set of optical material parameters. When recording the electric field as a function of time delay between THz and optical pulse, the absorption coefficient and the index of refraction can be extracted. However, the analysis shows ambiguity. Here, we describe an analysis which yields a complete set of mathematical solutions and show how the physically relevant can be deduced. We present a comprehensive mathematical survey for parameter extraction. We have recorded the THz spectra of anthracene and the fatty acid capric acid as examples for weakly absorbing solid samples, and an ionic liquid as an example for a strongly absorbing liquid sample. Finally, we discuss the uncertainty of the obtained optical parameters using error propagation of the Fourier transformation with a simple model and a rigorous mathematical procedure.The final publication is available at link.springer.com:http://dx

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THz reflection spectroscopy of liquid water

Cited by 316 publications

References 18 publications

Aqueous solvation dynamics studied by photon echo spectroscopy

Aqueous solvation dynamics studied by photon echo spectroscopy

Structural Arrangement of Water Molecules around Highly Charged Nanoparticles: Molecular Dynamics Simulation

Uncertainty and Ambiguity in Terahertz Parameter Extraction and Data Analysis

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