Wren John E C, Greer Brandon J, Michaelis Vladimir K, Higman Carolyn S, Kroeker Scott
Department of Chemistry, University of Manitoba , Winnipeg, Manitoba R3T 2N2, Canada.
Inorg Chem. 2015 Oct 19;54(20):9853-61. doi: 10.1021/acs.inorgchem.5b01556. Epub 2015 Oct 5.
A variety of crystalline alkali molybdate phases are characterized by (23)Na, (133)Cs, and (95)Mo magic-angle-spinning nuclear magnetic resonance (MAS NMR) to provide spectroscopic handles for studies of devitrification products in borosilicate nuclear waste glasses. The NMR parameters obtained from line-shape simulations are plotted as a function of various structural parameters to discern trends that may prove useful in the determination of unknown phases. These are applied to Cs3Na(MoO4)2, the most common precipitate found in cesium- and molybdenum-bearing model nuclear waste glasses, the crystal structure of which has not yet been determined, to provide structural constraints that may guide the refinement of powder X-ray diffraction data.
通过（23）Na、（133）Cs和（95）Mo魔角旋转核磁共振（MAS NMR）对多种晶态碱金属钼酸盐相进行表征，为硼硅酸盐核废料玻璃中失透产物的研究提供光谱处理手段。从线形模拟获得的核磁共振参数作为各种结构参数的函数绘制，以辨别可能有助于确定未知相的趋势。这些参数应用于Cs3Na（MoO4）2，它是在含铯和钼的模型核废料玻璃中发现的最常见沉淀物，其晶体结构尚未确定，以提供可能指导粉末X射线衍射数据精修的结构约束条件。
