From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates
| Autor: | Guo-Yu Yang, Qi-ming Qiu |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
010405 organic chemistry Structure (category theory) chemistry.chemical_element General Chemistry 010402 general chemistry Condensed Matter Physics 01 natural sciences 0104 chemical sciences Metal Crystallography Dipole chemistry Group (periodic table) visual_art Acentric factor visual_art.visual_art_medium Cluster (physics) General Materials Science Gallium Boron |
| Zdroj: | CrystEngComm. 23:5200-5207 |
| ISSN: | 1466-8033 |
| Popis: | Three new metal borates, namely K0.5[B6O10]·H2O·1.5H3O (1), [GaB5O10]·H2en (2) and NaCs[Ga{B5O9(OH)}{BO(OH)2}] (3), have been synthesized under solvothermal conditions. Compound 1 features an intricate 3D framework composed of [B6O13]8− clusters, resulting in a 6-connected achiral pcu net. After introducing the organic gallium, one of the BO4 groups of the [B6O13]8− cluster is substituted by a GaO4 polyhedron to form the acentric [GaB5O13]8− cluster in 2. It also displays a high second-harmonic generation (SHG) response about approximately 2.6 times that of KH2PO4 (KDP), which is higher than those of alumino-borates (ABOs) containing the acentric [AlB5O13]8− cluster (0.3–2.1 times that of KDP). Dipole moment calculations have been carried out to confirm these results. In the process of trying to synthesize a new compound with a denser structure than 2, we have unexpectedly obtained 3 crystallized in the centrosymmetric (CS) space group, which shows a 1D structure constructed from the [Ga{B5O9(OH)}{BO(OH)2}]2− cluster. This kind of low-dimensional structure is rare in gallo-borates (GBOs) as well as ABOs. |
| Databáze: | OpenAIRE |
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