Network Structure and Connectivity in SnO–P2O5 Glasses: Results from 2D 31P and 119Sn NMR Spectroscopy,The Journal of Physical Chemistry B

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Network Structure and Connectivity in SnO–P2O5 Glasses: Results from 2D 31P and 119Sn NMR Spectroscopy
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2018-07-11 , DOI: 10.1021/acs.jpcb.8b04236
Yiqing Xia ₁ , Maxwell A. T. Marple ₁ , Ivan Hung ₂ , Zhehong Gan ₂ , Sabyasachi Sen ₁

Affiliation

The compositional evolution of the network structure and connectivity in binary SnO–P₂O₅ glasses with 35 ≤ mol % SnO ≤ 55 is studied using two-dimensional ¹¹⁹Sn and ³¹P NMR spectroscopy. The phosphate Qⁿ species concentrations, as obtained from the analyses of the ³¹P NMR spectral line shapes suggest that the network modification can be described in terms of a binary Q-speciation model. On the other hand, the ¹¹⁹Sn NMR spectra suggest that the Sn–O coordination environment in these glasses is composition dependent. Sn is present in both 3-fold (trigonal pyramid) and 4-fold (trigonal bipyramid) coordinations with oxygen in these glasses. The relative fraction of the trigonal pyramidal environment increases with increasing SnO content. The unusually low glass transition temperature T_g of these glasses (241–266 °C) is argued to be related to the low coordination number of Sn, leading to a relatively sparsely connected structural network.

中文翻译：

SnO–P ₂ O ₅玻璃的网络结构和连通性：2D ³¹ P和¹¹⁹ Sn NMR光谱学的结果

使用二维¹¹⁹ Sn和³¹ P NMR光谱研究了35≤mol％SnO≤55的二元SnO-P ₂ O ₅玻璃的网络结构和连通性的组成演变。通过分析³¹ P NMR谱线形状获得的磷酸盐Q ⁿ物种浓度表明，可以根据二元Q物种模型描述网络修饰。另一方面，¹¹⁹Sn NMR光谱表明，这些玻璃中的Sn–O配位环境取决于成分。在这些玻璃中，Sn与氧以3倍（三角锥）和4倍（三角双锥）配位形式存在。三角锥体环境的相对分数随SnO含量的增加而增加。这些玻璃的玻璃化转变温度T _g（241–266°C）异常低，据认为与Sn的低配位数有关，从而导致结构网络的连接相对稀疏。

更新日期：2018-07-12

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