Syntheses, crystal structures and Raman spectra of Ba(BF₄)(PF₆), Ba(BF₄)(AsF₆) and Ba₂(BF₄)₂(AsF₆)(H₃

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• 作者：Matic Lozinš ; ek ; Tina Bunič ; Evgeny Goreshnik ; Anton Meden ; Melita Tramš ; ek ; Gaš ; per Tavč ; ar ; Boris Ž ; emva
• 关键词：BF₄⁻ ; ; AsF₆⁻ ; ; PF₆⁻ ; ; H₃F₄⁻ ; ; Ba salts with different anions ; Crystal structures
• 刊名：Journal of Solid State Chemistry
• 出版年：2009
• 出版时间：October 2009
• 年：2009
• 卷：182
• 期：10
• 页码：2897-2903
• 全文大小：582 K

文摘

In the system BaF₂/BF₃/PF₅/anhydrous hydrogen fluoride (aHF) a compound Ba(BF₄)(PF₆) was isolated and characterized by Raman spectroscopy and X-ray diffraction on the single crystal. Ba(BF₄)(PF₆) crystallizes in a hexagonal space group with a=10.2251(4) Å, c=6.1535(4) Å, V=557.17(5) Å³ at 200 K, and Z=3. Both crystallographically independent Ba atoms possess coordination polyhedra in the shape of tri-capped trigonal prisms, which include F atoms from BF₄⁻ and PF₆⁻ anions. In the analogous system with AsF₅ instead of PF₅ the compound Ba(BF₄)(AsF₆) was isolated and characterized. It crystallizes in an orthorhombic Pnma space group with a=10.415(2) Å, b=6.325(3) Å, c=11.8297(17) Å, V=779.3(4) Å³ at 200 K, and Z=4. The coordination around Ba atom is in the shape of slightly distorted tri-capped trigonal prism which includes five F atoms from AsF₆⁻ and four F atoms from BF₄⁻ anions. When the system BaF₂/BF₃/AsF₅/aHF is made basic with an extra addition of BaF₂, the compound Ba₂(BF₄)₂(AsF₆)(H₃F₄) was obtained. It crystallizes in a hexagonal P6₃/mmc space group with a=6.8709(9) Å, c=17.327(8) Å, V=708.4(4) Å³ at 200 K, and Z=2. The barium environment in the shape of tetra-capped distorted trigonal prism involves 10 F atoms from four BF₄⁻, three AsF₆⁻ and three H₃F₄⁻ anions. All F atoms, except the central atom in H₃F₄ moiety, act as μ₂-bridges yielding a complex 3-D structural network.