Target-Oriented Synthesis of Borate Derivatives Featuring Isolated [B₃O₃] Six-Membered Rings as Structural Features

Abstract

Borates provide an excellent platform for investigating the optical nonlinearity and linearity of crystals as photoelectric functional materials. In our work, borate derivatives with isolated [B3O3] six-membered rings as structural features are the preferred system due to their simple functional units and excellent properties. Herein, by utilizing the target-oriented synthesis, a series of borate derivatives, A2[B3O3F4(OH)] (A= NH4, Rb, Cs) (ABOFH), K2.3Cs0.7B3O3F6 (KCsBOF), and Cs3[B3O3(OH)3]Cl3 (CsBOHCl), with novel heteroanionic groups containing [BO x F4–x ] (x = 0–3) and/or [BO2(OH)] units were obtained. ABOFH, KCsBOF, and CsBOHCl construct different two-dimensional pesudolayers featuring [B3O3F4(OH)], [B3O3F6], and [B3O3(OH)3] units, respectively. Also, the optical properties and the arrangement information of these anionic groups were studied. Among the total five compounds, (NH4)2[B3O3F4(OH)] and Cs3[B3O3(OH)3]Cl3 with enlarged birefringence and sufficient band gaps were screened out as promising birefringent crystals due to the optimally aligned configuration of birefringence-active heteroanionic units. The successful results of target-oriented synthesis indicate a more profound conclusion that the borate system now has more diversified structural chemistry, and an effective strategy was proposed to modify the arrangement and species of anionic units to optimize the performance of optical crystals.

Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis

“…Experimental and theoretical studies have confirmed that B 3 O 3 nanosheets possess a hexagonal planar structure, with strong covalent bonds between the boron atoms. The six-fold symmetry of this structure has been reported in both experimental [33] and theoretical studies [34]. The formation of B 3 O 3 nanosheets occurs through the condensation of three tetrahydroxydiboron molecules [35], which connect six B 3 O 3 hexagons to create a porous structure with a surface area of 2.32 Å.…”

Two Hydroxyfluorooxoborates Achieving Deep‐Ultraviolet Cutoff Edges and Moderate Birefringence by Assembling Multi‐Anionic Groups

“…Wherein, polymorphism is a very common phenomenon, and Rb 2 [B 3 O 3 F 4 (OH)] was reported to crystallize in centrosymmetric C2/c space group, while RbBOFH in this work crystallizes in noncentrosymmetric Ama2 space group. [13] The split of B( 5) atom causing a mirror in RbBOFH may be the origin of their difference in symmetry.…”

“…2, 3, 4, 5, 7, 8, 10, 11 8) is situated at the 2 1 helical axis, and the occupancy of H atom is 0.5. Only one unique Cs atom is bonded to one O and eigth F atoms to form the [CsOF 8 ] polyhedron with CsÀ O and CsÀ F bond lengths located at 3.1798 (13) and 3.044(5)-3.368 (4)…”

NaB(OH)3CH3: a deep-ultraviolet optical crystal with unprecedented methyl-modified [B(OH)3CH3] units

“…[31][32][33][34][35][36][37][38][39][40][41] Hydroxyfluorooxoborates composed of DUV [B-O-F/OH] units as new potential candidates have been proposed and confirmed. [42][43][44][45][46][47] These new deep UV units in borates provide raw materials for exploring new potential DUV materials. 48 Each addition of a new DUV unit in borates may lead to the discovery of many new materials, and the combination of these old and new moieties greatly enriches the structural chemistry of borates.…”

“…31–41 Hydroxyfluorooxoborates composed of DUV [B–O–F/OH] units as new potential candidates have been proposed and confirmed. 42–47 These new deep UV units in borates provide raw materials for exploring new potential DUV materials. 48…”