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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Temperature-dependent electronic and vibrational structure of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide room-temperature ionic liquid surface: A study with XPS, UPS, MIES, and HREELS
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Temperature-dependent electronic and vibrational structure of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide room-temperature ionic liquid surface: A study with XPS, UPS, MIES, and HREELS

机译:1-乙基-3-甲基咪唑鎓双(三氟甲基磺酰基)酰胺室温离子液体表面的温度依赖性电子和振动结构:XPS,UPS,MIES和HREELS的研究

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摘要

The near-surface structure of the room-temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide has been investigated as a function of temperature between 100 and 620 K. We used a combination of photoelectron spectroscopies (XPS and UPS), metastable induced electron spectroscopy (MIES), and high-resolution electron energy loss spectroscopy (HREELS). The valence band and HREELS spectra are interpreted on the basis of density functional theory (DFT) calculations. At room temperature, the most pronounced structures in the HREELS, UPS, and MIES spectra are related to the CF3 group in the anion. Spectral changes observed at 100 K are interpreted as a change of the molecular orientation at the outermost surface, when the temperature is lowered. At elevated temperatures, early volatilization, starting at 350 K, is observed under reduced pressure.
机译:研究了室温离子液体1-乙基-3-甲基咪唑鎓双(三氟甲基磺酰基)酰胺的近表面结构随温度在100和620 K之间的函数。我们结合使用了光电子能谱仪(XPS和UPS) ,亚稳态感应电子光谱(MIES)和高分辨率电子能量损失光谱(HREELS)。在密度泛函理论(DFT)计算的基础上解释价带和HREELS光谱。在室温下,REEL,UPS和MIES光谱中最明显的结构与阴离子中的CF3基团有关。当温度降低时,在100 K处观察到的光谱变化被解释为最外表面分子取向的变化。在升高的温度下,在减压下观察到从350 K开始的早期挥发。

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