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Evolutional mechanism of 1-ethyl-3-methyl-imdazolium acetate uptaking water from air detected with a new coupled method: Two-dimensional correlation difference spectroscopy

机译:一种新的耦合方法检测空气中水吸收乙酸的1-乙基-3-甲基咪唑鎓的演化机理:二维相关差光谱法

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A new concept by coupling two-dimensional correlation spectroscopy (2D-COS) (particularly synchronous perturbation-correlation moving-window 2D-COS (s-PCMW2D-COS)) and difference spectroscopy (DS), i.e., 2D-CODS (particularly s-PCMW2D-CODS), is proposed in this study. Four steps (i.e., original spectra, DS, s-PCMW2D-COS, and sliced spectra in sequence) are proposed to produce s-PCMVV2D-CODS with the original data. Computational simulated spectra in the same/opposite direction with linearonlinear comparison are used to illustrate the s-PCMW2D-CODS. It is shown that the relationship for comparing intensity along the perturbation variable is clearer, more accurate and more direct by s-PCMW2D-CODS than by original spectra, DS, or s-PCMW2D-COS. Finally, a practical example of utilizing s-PCMW2D-CODS to investigate the dynamically atmospheric water sorption process in acetate-based ionic liquid (IL) 1-ethyl-3-methlyl-imidazolium acetate ([EMIM] [Ac]) via in-situ infrared spectroscopy (IR) is given. It is found that OH of the atmospheric water is affected first due to their weaker hydrogen-bonding network than that of [EMIM][Ac]; then, the cation ring C4,5H is freed followed by C2H because of the weaker hydrogen-bonding interaction between C4,5H and anion than that between C2H and anion; finally, the alkyl H (i.e., CbH, C6,7H, C8H) is interrupted owning to their lower hydrogen-bonding donating ability than the cation ring H (i.e., C2H, C4,5H) with 0 of water and their higher hydrophobicity. (C) 2015 Elsevier B.V. All rights reserved.
机译:通过将二维相关光谱(2D-COS)(特别是同步微扰相关移动窗口2D-COS(s-PCMW2D-COS))和差分光谱(DS)耦合,即2D-CODS(特别是s -PCMW2D-CODS)。提出了四个步骤(即原始光谱,DS,s-PCMW2D-COS和按顺序切片的光谱)来生成具有原始数据的s-PCMVV2D-CODS。通过线性/非线性比较,在相同/相反方向上的计算模拟光谱用于说明s-PCMW2D-CODS。结果表明,与原始光谱,DS或s-PCMW2D-COS相比,s-PCMW2D-CODS沿扰动变量比较强度的关系更清晰,更准确,更直接。最后,是一个利用s-PCMW2D-CODS研究乙酸盐基离子液体(IL)1-乙基-3-甲基-咪唑乙酸盐([EMIM] [Ac])中的动态大气水吸附过程的实例。给出了原位红外光谱(IR)。结果发现,大气水的OH首先受到氢键网络的影响,比[EMIM] [Ac]弱。然后,由于C4,5H与阴离子之间的氢键相互作用比C2H与阴离子之间的键弱,阳离子环C4,5H被释放,随后C2H被释放。最后,烷基H(即,CbH,C6,7H,C8H)由于氢键的给氢能力低于阳离子环H(即,C2H,C4,5H),而水为0,且疏水性较高,因此被中断。 (C)2015 Elsevier B.V.保留所有权利。

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