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H2O-和D2O-NaAlSi3O8(钠长石)玻璃的红外光谱与无水钠长石玻璃的红外光谱之间有两大差别:一是有许多由数个O-H伸缩振动引起的高于3000cm-1的谱带出现,二是在含水玻璃红外光谱中的900cm-1附近出现一个谱肩。未发现因D-H置换而引起的900cm-1谱肩的频率偏移。根据我们的红外光谱和分子轨道计算结果,以及以前的NMR和喇曼光谱,我们得出结论:H2O-钠长石玻璃的振动光谱中的900cm-1谱带是由AlQ3位置的Al-(OH)伸缩振动引起的。本文提出的模式为:当熔体中总水含量即[H2O]总<30mol%时,分子水与网格离子Al3+相互作用而形成Al-(OH)和少量Si-(OH)键,当[H2O]总>30mol%时,熔体中占主导地位的种属是分子水,而且H+在电荷平衡位置与Na+互换而生成NaOH分子或水化的Na+(H2O)n配合物。
There are two major differences between the infrared spectra of H2O- and D2O-NaAlSi3O8 (sodium feldspar) glasses and the infrared spectra of anhydrous sodium-feldspar glass. First, there are many differences between the infrared spectra of the glasses that are caused by several O-H stretching vibrations above 3000 cm- 1 band appears, the second is in the water glass infrared spectrum in the vicinity of 900cm-1 appears a spectral shoulder. No frequency shift of the 900 cm-1 spectral shoulder due to D-H substitution was found. Based on our infrared and molecular orbital calculations, as well as the previous NMR and Raman spectra, we conclude that the 900 cm-1 band in the vibrational spectrum of H2O-albite glass consists of Al- (OH Stretching vibration caused. The proposed model is as follows: Al (OH) and a small amount of Si- (OH) bonds are formed by molecular water interaction with Al3 + ions when the total water content in the melt is [H2O] <30mol% H2O]> 30 mol%, the predominant species in the melt is molecular water, and H + is exchanged with Na + at the charge-balancing site to form NaOH molecules or hydrated Na + (H2O) n complexes.