The First Alkaline-Earth Fluorooxoborate Ba[B4O6F2]Characterisation and Doping with Eu2+
The First Alkaline-Earth Fluorooxoborate Ba[B4O6F2]Characterisation and Doping with Eu2+
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DOI：
10.1002/chem.201704324
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发表时间：
2018-01-09
影响因子：
4.3
通讯作者：
Hoeppe, Henning A.
中科院分区：
文献类型：
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作者：
Jantz, Stephan G.;Pielnhofer, Florian;Hoeppe, Henning A.
以Ba(BF4)(2)、-BaB2O4和B2O3为起始原料，采用固相法合成了第一个碱土氟硼酸钡[B4O6F2]。单晶x射线衍射得到的晶体结构(P2(1)/n, a=6.6384(2)埃，b=7.6733(3)埃，c=11.3385(4)埃，=91.281（2)度，Z=4, R-int=0.0269, R-1=0.018, wR(2)=0.034）由BO3F四面体层组成，通过三角形BO3单元根据描述符2 Delta 2平方：< 2 Delta 2平方>Delta凝聚而成。钡与氧和氟的13倍配位使得掺杂二价铕的样品具有有趣的光学性质，其中4f4f发射在359nm左右被记录，5d4f发射的宽发射带在366nm处达到峰值。该化合物通过IR-，拉曼-和固态核磁共振光谱方法进一步表征。此外，还进行了DFT计算以及TGA和DSC测量。
The very first alkaline-earth fluorooxoborate Ba[B4O6F2] was synthesised by solid state methods starting from Ba(BF4)(2), -BaB2O4, and B2O3. The crystal structure derived from single-crystal X-ray diffraction (P2(1)/n, a=6.6384(2)angstrom, b=7.6733(3)angstrom, c=11.3385(4)angstrom, =91.281(2)degrees, Z=4, R-int=0.0269, R-1=0.018, wR(2)=0.034) comprises layers of BO3F tetrahedra condensed through triangular BO3 units according to the descriptor 2 Delta 2 square:< 2 Delta 2 square >Delta. The extraordinary thirteen-fold coordination of barium by oxygen and fluorine leads to interesting optical properties of a sample doped with divalent europium, where a 4f4f emission was recorded around 359nm together with a broad emission band of a 5d4f emission peaking at 366nm. The compound is further characterised by IR-, Raman-, and solid-state NMR-spectroscopic methods. Moreover, DFT calculations as well as TGA and DSC measurements were performed.