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Assignment of the vibrational spectra of lithium hydroxide monohydrate, LiOH·H2O.

The Journal of chemical physics (2011-03-03)
Stewart F Parker, Keith Refson, Robert I Bewley, Geoffrey Dent
ABSTRAKT

The assignment of the vibrational spectra of lithium hydroxide monohydrate, LiOH·H(2)O, has been controversial for more than half-a-century. Here we show that only the combination of all three forms of vibrational spectroscopy: infrared, Raman and inelastic neutron scattering spectroscopies coupled with periodic-density functional theory calculations is able to satisfactorily assign the spectra. All previous work based on empirical criteria is, at least partially, incorrect. The librational modes of water do not follow the expected rock > wag > twist order and the calculations indicate that complete or partial deuterium substitution would not be useful in assigning the modes.

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Sigma-Aldrich
Lithium hydroxide, powder, reagent grade, ≥98%
Sigma-Aldrich
Lithium hydroxide, reagent grade, 98%
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Lithium hydroxide monohydrate, BioXtra, 98.5-101.5% (titration)
Sigma-Aldrich
Lithium hydroxide monohydrate, ACS reagent, ≥98.0%
Sigma-Aldrich
Lithium hydroxide monohydrate, BioUltra, ≥99.0% (T)
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Lithium hydroxide monohydrate, 99.95% trace metals basis