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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Drawing out the structural information of the first layer of hydrated ions: ATR-FTIR spectroscopic studies on aqueous NH4NO3, NaNO3, and Mg(NO3)(2) solutions
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Drawing out the structural information of the first layer of hydrated ions: ATR-FTIR spectroscopic studies on aqueous NH4NO3, NaNO3, and Mg(NO3)(2) solutions

机译：绘制第一层水合离子的结构信息：NH4NO3，NaNO3和Mg（NO3）（2）水溶液的ATR-FTIR光谱研究

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ATR-FTIR technique was used to obtain the difference spectra of aqueous NH4NO3 NaNO3, and Mg(NO3)(2) solutions, with NO3- concentrations ranging from 0 to 4.00 mol dm(-3). The water monomers weakly hydrogen bonded with NO3- ions showed a positive peak near at 3565 cm(-1) for both Mg(NO3)(2) and NH4NO3 Solutions. The positive peak was shift to similar to3543 cm(-1) for NaNO3 solutions due to the total contributions of the hydrated NO3- (similar to3565 cm(-1)) and the hydrated Na+ (similar to3440 cm(-1)). Compared with perchlorate solutions, the positive peak of nitrate solutions has a red shift of about 20cm(-1) and the peak area is about half of that of perchlorate solutions with the same concentrations, indicating that the hydrogen bonding between NO3- and water monomers is relative stronger than that between ClO4- and water monomers, and NO3- has a strict requirement on the orientation of water molecules when hydrogen bonded with water monomers due to its planar structure. The ab initio calculations were used to understand the splitting of the nu(3) band and hydration effect on the infrared activation of the nu(1). The absorbance Of nu(3b), nu(1) and nu(2) bands, dependent on the type of cations, was observed to departed from Beer low with increasing concentrations, which is considered as the results of the interactions between cations and nitrate ions. (C) 2004 Elsevier B.V. All rights reserved.
机译：ATR-FTIR技术用于获得NH4NO3 NaNO3水溶液和Mg（NO3）（2）溶液的差异光谱，NO3-的浓度范围为0至4.00 mol dm（-3）。对于Mg（NO3）（2）和NH4NO3溶液，与NO3-离子弱氢键结合的水单体在3565 cm（-1）附近显示一个正峰。由于水合NO3-（约3565 cm（-1））和水合Na +（约3440 cm（-1））的总贡献，NaNO3溶液的正峰移至类似于3543 cm（-1）的位置。与高氯酸盐溶液相比，硝酸盐溶液的正峰具有约20cm（-1）的红移，且峰面积约为相同浓度的高氯酸盐溶液的峰面积的一半，表明NO3-与水单体之间的氢键结合它比ClO4-和水单体之间的相对强，并且NO3-由于氢与水单体的平面结构而对氢与水单体键合时对水分子的取向有严格的要求。从头算计算用于了解nu（3）谱带的分裂以及水合对nu（1）的红外激活的影响。观察到nu（3b），nu（1）和nu（2）谱带的吸收率随阳离子类型的变化而随着浓度的增加而偏离比尔低值，这被认为是阳离子与硝酸盐之间相互作用的结果离子。 （C）2004 Elsevier B.V.保留所有权利。

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