Isotope Effect in IR Spectra of Highly Enriched Amorphous Silicon Dioxide ASiO2 (A = 28, 29, 30)

IF 1.8 3区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR Russian Journal of Inorganic Chemistry Pub Date : 2024-09-15 DOI:10.1134/s0036023624601788

K. F. Shumovskaya, M. E. Komshina, M. V. Sukhanov, S. D. Plekhovich, A. D. Plekhovich, P. A. Otopkova, O. Yu. Troshin, A. D. Bulanov

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Abstract

Samples of amorphous silicon dioxide have been synthesized from silicon with natural isotope abundance; silicon highly enriched in silicon-28, silicon-29, or silicon-30 with a degree of enrichment from 99.29 ± 0.01 to 99.9980 ± 0.0010 at %; and silicon being a mixture of silicon-28 and silicon-30. The samples were studied by IR spectroscopy. The IR spectra of the samples demonstrate a low-frequency shift of the known stretching and bending vibration absorption bands for the silicon-29 and silicon-30 isotopes by 0.1–30.1 cm^–1 compared to silicon-28. For the silicon dioxides containing a mixture of silicon-28 and silicon-30 isotopes and with natural isotope composition, there is a deviation from the linear dependence of the vibration frequency of monoisotopic samples. The positions of the absorption band maxima in the model IR spectrum of silicon dioxide have been calculated by the DFT method. The results obtained correlate with experimental data with high accuracy. The reduced mass and force constant of vibrating groups of atoms in silicon dioxide were determined, and the influence of these factors on the isotopic shift in the IR spectrum of silicon dioxide, depending on the type of vibration, was established.

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高富集无定形二氧化硅 ASiO2（A = 28、29、30）红外光谱中的同位素效应

摘要从天然同位素丰度的硅；硅-28、硅-29 或硅-30 的高富集度（富集度从 99.29 ± 0.01 % 到 99.9980 ± 0.0010 %）的硅；以及硅-28 和硅-30 的混合物中合成了无定形二氧化硅样品。对样品进行了红外光谱研究。样品的红外光谱显示，与硅-28 相比，硅-29 和硅-30 同位素的已知伸缩振动和弯曲振动吸收带发生了 0.1-30.1 cm-1 的低频移动。对于含有硅-28 和硅-30 同位素混合物以及具有天然同位素组成的二氧化硅，单同位素样品的振动频率与线性关系存在偏差。通过 DFT 方法计算了二氧化硅模型红外光谱中吸收带最大值的位置。计算结果与实验数据高度吻合。确定了二氧化硅中原子振动基团的还原质量和力常数，并根据振动类型确定了这些因素对二氧化硅红外光谱中同位素偏移的影响。

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来源期刊

Russian Journal of Inorganic Chemistry 化学-无机化学与核化学

CiteScore

3.10

自引率

38.10%

发文量

237

审稿时长

3 months

期刊介绍： Russian Journal of Inorganic Chemistry is a monthly periodical that covers the following topics of research: the synthesis and properties of inorganic compounds, coordination compounds, physicochemical analysis of inorganic systems, theoretical inorganic chemistry, physical methods of investigation, chemistry of solutions, inorganic materials, and nanomaterials.