Ba(BO2OH) - A Monoprotonated Monoborate from Hydroflux Showing Intense Second 
Harmonic Generation

Li, Yuxi; Hegarty, Peter A.; Rüsing, Michael; Eng, Lukas M.; Ruck, Michael

doi:10.1002/zaac.202200193

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Ba(BO₂OH) - A Monoprotonated Monoborate from Hydroflux Showing Intense Second Harmonic Generation

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Ruck, Michael
Michael Ruck, Max Planck Fellow, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Li, Y., Hegarty, P. A., Rüsing, M., Eng, L. M., & Ruck, M. (2022). Ba(BO₂OH) - A Monoprotonated Monoborate from Hydroflux Showing Intense Second Harmonic Generation. Zeitschrift für anorganische und allgemeine Chemie, e202200193, pp. 1-6. doi:10.1002/zaac.202200193.

Cite as: https://hdl.handle.net/21.11116/0000-000A-E36D-C

Abstract

Pure samples of colorless, air-stable Ba(BO2OH) crystals were obtained from Ba(NO3)(2) and H3BO3 under the ultra-alkaline conditions of a KOH hydroflux at about 250 degrees C. The product formation depends on the water-base molar ratio and the molar ratio of the starting materials. B(OH)(3) acts as a proton donor (Bronsted acid) rather than a hydroxide acceptor (Lewis acid). Ba(BO2OH) crystallizes in the non-centrosymmetric orthorhombic space group P2(1)2(1)2(1). Hydrogen bonds connect the almost planar (BO2OH)(2-) anions, which are isostructural to HCO3-, into a syndiotactic chain. IR and Raman spectroscopy confirm the presence of hydroxide groups, which are involved in weak hydrogen bonds. Upon heating in air to about 450 degrees C, Ba(BO2OH) dehydrates to Ba2B2O5. Moreover, the non-centrosymmetric structure of Ba(BO2OH) crystals was verified with power-dependent confocal Second Harmonic Generation (SHG) microscopy indicating large conversion efficiencies in ambient atmosphere.