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Molecular interactions in aqueous solutions of polyborates at different acidity based on the Raman spectroscopy data at 25°C

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Investigation of aqueous solutions of polyborates LiB(OH)4, Li2B4O5(OH)4, and LiB5O6(OH)4 at different acidity has been performed by Raman spectroscopy at 25°C. The geometries and Raman vibrational frequencies of H3BO3 in aqueous phase were calculated at different basis sets, and verified the veracity. The calculated characteristic Raman shifts of B(OH)3, B(OH)4 , B3O3(OH)4 , B3O3(OH)5 2−, B4O5(OH)4 2−, and B5O6(OH)4 were assigned to 880.0, 735.33, 599.06, 740.16, 551.67, and 521.04 cm−1, respectively. Assignments of the bands were tentatively ascribed by comparing the calculated Raman spectrum. The chemical species distribution and the relevant molecular interaction mechanisms in the polyborates solutions were suggested.

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Correspondence to Haiwen Ge.

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Ge, H., Zhou, Y., Liu, H. et al. Molecular interactions in aqueous solutions of polyborates at different acidity based on the Raman spectroscopy data at 25°C. Russ. J. Phys. Chem. 91, 1925–1931 (2017).

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