Terahertz spectroscopy of Bisphenol “A”, “AF”, “S”, “E” and the interrelationship between their molecular vibrations

Bisphenol "A" is a widespread environmental hormone. After the prohibition on the use of BPA in some applications, it is progressively replaced by its variants. However, these variants of Bisphenol "A" are also noxious. It is therefore of the utmost importance to find the similarity among these materials and put all of them under restriction to avoid harmful effects. Therefore, Bisphenol "A", "AF", "E", and "S" are studied by Terahertz spectroscopy (0.5-2.5 THz). Various molecular vibrations are found and assigned based on density-functional-theory calculations. Refractive Indices are calculated as well. The principal component analysis reveals the critical vibrational frequencies for their detection and shows the correlation between them.