Spectroscopic Exploration of Squaraine Dyes: Molecular Characterization of Fundamental, Combination, and Overtone Bands
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A comprehensive vibrational analysis of squaraine dyes, a relevant class of molecules for dye-sensitized solar cell devices, is presented here. Exploiting density functional theory (DFT) in conjunction with second-order vibrational perturbation theory (VPT2), ... ...
