Wang Zhiqiang, Ju Siwen, Wang Yuxi, Zhang Ruiting, Ma Lin, Song Jiangluqi, Lin Ke
School of Physics, Xidian University, Xi'an, 710071, P. R. China.
School of Flexible Electronics (SOFE) & State Key Laboratory of Optoelectronic Materials and Technologies (OEMT), Sun Yat-sen University, Shenzhen, 5181071, P. R. China.
Spectrochim Acta A Mol Biomol Spectrosc. 2024 Sep 5;317:124413. doi: 10.1016/j.saa.2024.124413. Epub 2024 May 7.
Isosbestic point is often observed in a series of spectra, but their interpretation is still controversial, such as whether the continuum model can produce an isosbestic point. In order to answer this question, the Raman spectra of hydration shell with continuous distribution structure in different ionic aqueous solutions were separated by Raman ratio spectra, and an isosbestic point was successfully observed. Our experimental results show that the continuum model can indeed produce the isosbestic point. In order to deepen the understanding of the isosbestic point, we calculate the first moment of the Raman spectra and conduct molecular dynamics (MD) simulations. Both experimental and theoretical findings indicate that elevated temperatures lead to increased disorder among water molecules within the hydration shell.
等吸收点常在一系列光谱中被观测到，但其解释仍存在争议，比如连续介质模型是否能产生等吸收点。为回答这个问题，通过拉曼比率光谱分离了不同离子水溶液中具有连续分布结构的水化层的拉曼光谱，并成功观测到一个等吸收点。我们的实验结果表明连续介质模型确实能产生等吸收点。为加深对等吸收点的理解，我们计算了拉曼光谱的一阶矩并进行了分子动力学（MD）模拟。实验和理论结果均表明，温度升高会导致水化层内水分子无序性增加。
