Applying q-Gaussians to the OH-stretching Raman bands of Water and Ice

In a previous discussion, we started showing how the q-Gaussian functions, also known as Tsallis functions, can be applied to the Raman spectroscopy investigations of the spectral region between 2800 and 3800 cm−1, that is the OH-stretching Raman band of water. We decomposed the spectral region in three q-Gaussians. Being the q-parameter of q-Gaussians related to the correlation time of stochastic Kubo modelling of fluctuations, we proposed the use of this parameter to characterize the local environments of OH bonds. Here, we further discuss the OH-stretching Raman band of water and consider the same spectral region in the case of ice, to understand how the decomposition in q-Gaussians changes in the number of components and values of q-parameters.

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