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Novel ethylenediamine-gallium phosphate containing 6-fold coordinated gallium atoms with unusual four equatorial Ga-N bonds

机译:新型乙二胺-磷酸镓,含6倍配位的镓原子,具有不寻常的四个赤道Ga-N键

摘要

A novel ethylenediamine-gallium phosphate, formulated as Ga(H2NCH2CH2NH2)2PO4·2H2O, was synthesized under hydrothermal conditions. The crystal structure, including hydrogen positions, was determined using single-crystal X-ray diffraction data (monoclinic, a=9.4886(3) Å, b=6.0374(2) Å, c=10.2874(3) Å, and β=104.226(3)°, space group Pc) and the bulk was characterized by chemical (Ga–P–C–H–N) and thermal analysis (TG–MS and DSC), including activation energy data of its thermo-oxidative degradation, powder X-ray diffraction (PXRD), solid-state nuclear magnetic resonance (SS-NMR) measurements, and transmission electron microscopy (TEM, SAED/NBD, and STEM BF-EDX). The crystal structure is built up of infinite zig-zag chains running along the c-axis, formed by vertex-shared {PO4} and {GaO2N4} polyhedra. The new compound is characterized by unusual four equatorial Ga–N bonds coming from two nonequivalent ethylenediamine molecules and exhibits strong blue emission at 430 nm (λex=350 nm) in the solid state at room temperature.
机译:在水热条件下合成了一种新型的乙二胺-磷酸镓Ga(H2NCH2CH2NH2)2PO4·2H2O。使用单晶X射线衍射数据确定晶体结构,包括氢位置(单斜晶,a = 9.4886(3)Å,b = 6.0374(2)Å,c = 10.2874(3)Å,β= 104.226 (3)°,空间群Pc)和整体的特征在于化学成分(Ga–P–C–H–N)和热分析(TG–MS和DSC),包括其热氧化降解,粉末的活化能数据X射线衍射(PXRD),固态核磁共振(SS-NMR)测量和透射电子显微镜(TEM,SAED / NBD和STEM BF-EDX)。晶体结构由沿c轴延伸的无限之字形链构成,该链由顶点共享的{PO4}和{GaO2N4}多面体形成。这种新化合物的特征是来自两个不等价的乙二胺分子的异常的四个赤道Ga-N键,并且在室温下在固态430 nm(λex= 350 nm)处表现出强烈的蓝色发射。

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