四氢化铝钾KAlH4的制备及NMR光谱表征
On the preparation and NMR spectroscopic characterization of potassium aluminium tetrahydride KAlH4
摘要：
通过机械化学方法合成了高相纯度的四氢化钾铝KAlH 4（空间群Pnma（62））。通过27 Al和39 K MAS NMR光谱研究由此获得的材料。对于这两个核，在T=295 K时，得到了各向同性化学位移和四极耦合的精确数据（~（27）Al：delta_iso=（107.6+-0.2）ppm，C_Q =（1.29 ± 0.02）MHz，η = 0.64 ± 0.02; 39K：delta_iso=（6.1 ± 0.2）ppm，C_Q =（0.562 ± 0.005）MHz，η = 0.74 ± 0.02）。这里应用的简单的NMR光谱方法也应该适用于其他复杂的铝合金和许多其他材料包含半整数核经历小到中等大小的四极耦合。
英文摘要：
Potassium aluminium tetrahydride KAlH4 of high phase purity (space group Pnma (62)) was synthesized via a mechanochemical route. The thus obtained material was studied by 27Al and 39K MAS NMR spectroscopy. For both nuclei precise data for the isotropic chemical shift and the quadrupole coupling at T=295 K were derived (27Al: delta_iso=(107.6+-0.2) ppm, C_Q = (1.29+-0.02) MHz and eta = 0.64+-0.02; 39K: delta_iso=(6.1+-0.2) ppm, C_Q = (0.562+-0.005) MHz and eta = 0.74+-0.02). The straightforward NMR spectroscopic approach applied here should also work for other complex aluminium hydrides and for many other materials containing half-integer nuclei experiencing small to medium-sized quadrupole couplings.
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