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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >The two-component bands at about 4500 and 800 cm-(1) in infrared spectra of hydroxyl-containing silicas. Interpretation in terms of Fermi resonance
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The two-component bands at about 4500 and 800 cm-(1) in infrared spectra of hydroxyl-containing silicas. Interpretation in terms of Fermi resonance

机译：含羟基的二氧化硅的红外光谱中的约4,500和800 cm-（1）处的两个组分带。费米共振的解释

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The band at about 4550 cm(-1) in the near-infrared (IR) spectra of OH-containing high-surface area silicas is known to resolve into a doublet under certain experimental conditions. The interpretation of this by Tsyganenko [Zh. Fit. Khim. (Moscow) 56 (1982) 2330], which has received no recognition so far, is advocated and is elaborated as follows: (1) there is Fermi resonance interaction between the SiOH bending fundamental and a doubly excited vibration giving rise to a mixed-state doublet around 800 cm(-1), (2) the Fermi doublet propagates in the near IR in combinations with the OH stretching vibration (approximate to 3750 cm(-1)). From a review of available IR transmission. inelastic neutron scattering (INS), and Raman scattering experimental data and model densities of vibrational states it is inferred that the doubly excited state causing Fermi resonance is likely to be either the first overtone of the bridging-oxygen rocking mode (400 cm(-1) in the density of vibrational states) or the binary summation of the bridging-oxygen symmetric stretching in bent Si-O-SiOH units (the D-1 Raman band near 490 cm(-1). in the interpretation of Mulder et al.) with the A ' component of the Si-OH wagging mode (expected at about 300 cm(-1)). In the near-IR spectra of OH-containing vitreous silica and natural opals, the irregular shape of the band near 4500 cm(-1), as argued, has a similar origin. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 87]
机译：已知在某些实验条件下，含OH的高表面积二氧化硅的近红外（IR）光谱中约4550 cm（-1）的谱带会分解为双峰。 Tsyganenko [Zh。适合。希姆（莫斯科）56（1982）2330]的提倡，并作如下阐述：（1）SiOH弯曲基波和双激发振动之间存在费米共振相互作用，从而导致混合-态双峰在800 cm（-1）附近，（2）费米双峰在近红外下与OH拉伸振动（大约3750 cm（-1））结合传播。从可用的红外传输的回顾。非弹性中子散射（INS）和拉曼散射实验数据以及振动状态的模型密度，可以推断出引起费米共振的双激发态可能是桥氧摇摆模式（400 cm（-1） ）或弯曲的Si-O-SiOH单元（D-1拉曼能带在490 cm（-1）附近）的桥接氧对称拉伸的二元总和。 ），并具有Si-OH摆动模式的A'分量（预计在300 cm（-1）左右）。在含羟基的氧化硅玻璃和天然蛋白石的近红外光谱中，据认为，在4500 cm（-1）附近的不规则形带具有相似的起源。 （C）2001 Elsevier Science B.V.保留所有权利。 [参考：87]

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