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Dissolution nature of the lithium hydroxide by water molecules.

The Journal of chemical physics (2005-09-17)
Anupriya Veerman, Han Myoung Lee, Kwang S Kim
ABSTRACT

The structures, stabilities, thermodynamic quantities, dissociation energies, infrared spectra, and electronic properties of LiOH hydrated by up to seven water molecules are investigated by using the density-functional theory and the Møller-Plesset second-order perturbation theory (MP2). Further accurate analysis based on the coupled-cluster theory with singles, doubles, and perturbative triples excitations agrees with the MP2 results. The Li-OH stretch mode significantly shifts with the increase of water molecules, and it eventually disappears upon dissociation. It is revealed that seven water molecules are needed for the stable dissociation of LiOH (as a completely dissociated conformation), in contrast to the cases of RbOH and CsOH which require four and three water molecules, respectively.

MATERIALS
Product Number
Brand
Product Description

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