On Raman spectra of water, its structure and dependence on temperature

Baschenko, S. M.; Marchenko, L. S.

doi:10.15407/spqeo14.01.077

Cited by 28 publications

(27 citation statements)

References 2 publications

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“…This means that no drastic rearrangement of the structure occurs by dissolution in water compared with the crystal, although the conformer equilibrium might shift. The experimental spectrum in solution is, of course, dominated by the presence of H 2 O molecules giving rise to the water bands, with an envelope depending on temperature, pH, and presence of solutes (90,91). We note that H 2 O molecules were not directly incorporated into the modeling in Figure 16 (bottom) and therefore the OH stretching band envelope is absent from the calculated spectrum.…”

Section: Sodium Ascorbatementioning

confidence: 97%

Investigation ofL(+)-Ascorbic acid with Raman spectroscopy in visible and UV light

Berg

2014

Applied Spectroscopy Reviews

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Section: Sodium Ascorbatementioning

confidence: 97%

Investigation ofL(+)-Ascorbic acid with Raman spectroscopy in visible and UV light

Berg

2014

Applied Spectroscopy Reviews

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“…The Raman O-H stretching bands can be classified as four or five Gaussian peaks with different donor (D) and acceptor (A) hydrogen bonds. The corresponding structures (local hydrogen bond network structure of water molecules) are DAA (single donor-double acceptor), DDAA (double donor-double acceptor), DA (single donor-single acceptor), DDA (double donor-single acceptor), and free O-H structure [44,45]. Of these, DDAA and DA are sensitive to temperature change [44]; within a certain temperature range, as the temperature decreases, DA is partially converted into DDAA [44].…”

Section: Raman Spectra Of Pore Watermentioning

confidence: 99%

“…The Raman shifts corresponding to the stretching vibration peaks of the pore water with a water content of 100% are shown in Table 2. For convenience of comparison, the values from the literature [44,45] are also listed in Table 2. In the Raman spectrum of pore water confined inside silica gel pores with a water content of 100% at 293 K, the DDAA and DA are 3087 cm −1 and 3288 cm −1 , shifting towards lower wave numbers compared with the DDAA and DA structures of free water at 293 K. The bending vibration peak of free water at 293 K appears near 1640 cm −1 .…”

Section: Raman Spectra Of Pore Watermentioning

confidence: 99%

Decomposition Characterizations of Methane Hydrate Confined inside Nanoscale Pores of Silica Gel below 273.15 K

et al. 2019

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The formation and decomposition of gas hydrates in nanoscale sediments can simulate the accumulation and mining process of hydrates. This paper investigates the Raman spectra of water confined inside the nanoscale pores of silica gel, the decomposition characterizations of methane hydrate that formed from the pore water, and the intrinsic relationship between them. The results show that pore water has stronger hydrogen bonds between the pore water molecules at both 293 K and 223 K. The structure of pore water is conducive to the nucleation of gas hydrate. Below 273.15 K, the decomposition of methane hydrate formed from pore water was investigated at atmospheric pressure and at a constant volume vessel. We show that the decomposition of methane hydrate is accompanied by a reformation of the hydrate phase: The lower the decomposition temperature, the more times the reformation behavior occurs. The higher pre-decomposition pressure that the silica gel is under before decomposition is more favorable to reformation. Thus, reformation is the main factor in methane hydrate decomposition in nanoscale pores below 273.15 K and is attributed to the structure of pore water. Our results provide experimental data for exploring the control mechanism of hydrate accumulation and mining.

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“…On the other hand, AC induces the opposite effect. This result can be attributed to the fact that with addition of AS possibly more H-bonded network Ahmed et al [64] Gopalakrishnan et al [40] Hu et al [65] Crupi et al [66] Erko et al [67] Baschenko et al [68] Carey et al [69] Murphy et al [70] 3,076.…”

Section: O-h Stretching Regionmentioning

confidence: 99%

Investigation of solvation of ammonium salts: A Raman spectroscopy and ab initio study

Mukhopadhyay

Dubey

2017

J Raman Spectroscopy

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The effect of dissolved salts on the hydrogen bonded network in water is extremely important to be understood, as it plays an important role in many aspects of structure and dynamics in aqueous solutions. We have undertaken a study of this phenomenon, using NH4Cl (AC) and (NH4)2SO4 (AS), as the salts for influencing the hydrogen bonded network in water. The effects of varying the temperature and concentration in these aqueous solutions of both the salts, on the Raman spectra were studied, over the wavenumber range 50–4000 cm−1. It was found that at 25 °C, with increasing AS concentration, a monotonic increase in intensity of spectral features on the low wavenumber side (~3200 cm−1 region) of the O–H stretching band was observed, whereas AC showed the opposite effect. A parameter (χstruct) is defined from the spectral data, which indicates that more hydrogen bonded network forms in presence of AS salt compared with AC salt, in aqueous solution. Temperature variation study also reveals that, presence of AC induces a more disordered network in aqueous solutions, than AS. To support these conclusions, we have performed ab initio calculation for the salt⋯nW species, where n = 1−8, using the MP2/6–31+G(d,p) level of theory. Solvent separated ion pair formation has been reported for NH4+ and Cl− ions, whereas NH4+ and SO42− ions remain as contact ion pair up to AS⋯8W cluster. This study helps understand the effect of salt water interaction at the molecular level and may have huge implications in atmospheric physics, geophysics, and ice crystallization.

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On Raman spectra of water, its structure and dependence on temperature

Cited by 28 publications

References 2 publications

Investigation ofL(+)-Ascorbic acid with Raman spectroscopy in visible and UV light

Investigation ofL(+)-Ascorbic acid with Raman spectroscopy in visible and UV light

Decomposition Characterizations of Methane Hydrate Confined inside Nanoscale Pores of Silica Gel below 273.15 K

Investigation of solvation of ammonium salts: A Raman spectroscopy and ab initio study

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