Lithium hydroxide monohydrate single crystals: infrared reflectivity and Raman study

Tyutyunnik, V. I.

doi:10.1002/1097-4555(200007)31:7<559::aid-jrs577>3.3.co;2-f

Cited by 2 publications

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“…Raman measurements of lithium hydroxide, lithium hydroxide monohydrate, lithium oxide, lithium carbonate, and lithium hydride have been demonstrated in the literature, but the effects of lithium isotope substitution on the Raman spectra have not been thoroughly investigated. [13][14][15][16][17][18][19] Some lithium isotopic shifts in the Raman spectra of Li 2 CO 3 and LiOH•H 2 O have been previously described in the literature, and this work expands on those results. [20][21][22] While this manuscript is largely focused on the identification of new isotopic shifts in the spectra of pure Li 2 CO 3 and LiOH•H 2 O, it is important to note that real samples or mixtures would likely contain a significantly lower amount of lithium compounds.…”

Section: Introductionsupporting

confidence: 55%

Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

et al. 2022

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Lithium isotopic ratios have wide ranging applications as chemical signatures, including improved understanding of geochemical processes and battery development. Measurement of isotope ratios using optical spectroscopies would provide an alternative to traditional mass spectrometric methods, which are expensive and often limited to a chemical laboratory. Raman spectra of 7Li2CO3, 6Li2CO3, 7LiOH*H2O and 6LiOH*H2O have been measured to determine the effect of lithium isotope substitution on the Raman molecular vibrations. Thirteen peaks were observed in the spectrum of lithium carbonate, with discernable isotopic shifts occurring in eleven of the thirteen vibrations, two of which have not been previously reported in the literature. The spectrum of lithium hydroxide monohydrate contained nine peaks, with discernable isotopic shifts occurring in eight of the nine vibrations, four of which have not been previously reported in the literature. The Raman spectral data reported here for lithium carbonate and lithium hydroxide monohydrate are in agreement with the previously reported works in the literature, in which the Raman active modes of these molecules were first identified and assigned. However, due to the stability and resolution of the detection system used in this work, isotopic shifts with a magnitude less than one wavenumber have been identified. Principal Component Regression was used to evaluate the sensitivity to isotopic content of small Raman peak shifts in Li2CO3 and indicates differences greater than 2 atom-% could be reliably determined. These measurements add to the body of work on lithium isotope Raman spectroscopy for these two compounds and increases the number of Raman bands which could be used for lithium isotope content analysis.

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Section: Introductionsupporting

confidence: 55%

Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

et al. 2022

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“…In both phases the intramolecular O−H distance can stretch up to 1.2 Å, while the intermolecular distance shortens to reach a value as short as 1.3 Å. Even though these oscillations are quite large, there is no evidence from the present simulation, as there is no evidence from the infrared and Raman spectra, of the rapid exchange of protons between water and OH - ions hypothesized by Tyutyunnik 9 O-H bond length for a selected water molecule as a function of time.…”

Section: Structural Propertiesmentioning

confidence: 55%

“…The vibrational spectra of phase I of LiOH·H 2 O have been studied by several authors ,− and in particular by Hase, , who reported on the infrared and Raman spectra of several isotopic variants. The experimental spectra have been remeasured in the present work and are in good agreement with previous reports except for the improved resolution of the infrared and Raman spectra and a few other details that will be discussed below.…”

Section: Spectroscopic Analysismentioning

confidence: 99%

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

et al. 2006

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When the free energy surface of the lithium hydroxide monohydrate crystal was explored, the high-pressure solid-state phase transition was determined. The high-pressure phase has been obtained through ab initio Car-Parrinello molecular dynamics simulation in the isothermic-isobaric ensemble. The recent metadynamics method has been applied to overcome the high activation energy barriers typical of rare events, like solid-state phase transition at high pressures. In the LiOH x H2O system, there are two kinds of H bonds: water-water and hydroxyl-water. The effect of the pressure has been investigated, to give further insight into the high-pressure phase. The strengthening of the H bonds of the system produces modifications in the water and the hydroxyl ion dipole electronic environment. The infrared spectra of both phases have been calculated and compared with experiments, and the assignment of the external modes has been discussed.

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Lithium hydroxide monohydrate single crystals: infrared reflectivity and Raman study

Cited by 2 publications

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Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

Solid-State Phase Transition Induced by Pressure in LiOH·H₂O

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Lithium hydroxide monohydrate single crystals: infrared reflectivity and Raman study

Cited by 2 publications

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Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

Isotopic Signatures of Lithium Carbonate and Lithium Hydroxide Monohydrate Measured Using Raman Spectroscopy

Solid-State Phase Transition Induced by Pressure in LiOH·H2O

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Solid-State Phase Transition Induced by Pressure in LiOH·H₂O