Abstract-Terahertz spectroscopy of diglycidylether of bisphenol A: Experimental investigations and density functional theory based simulations

P. Suma Sindhua, Dipak Prasada, Simone Pelib, Nilanjan Mitraa, P.K. Dattaa


https://www.sciencedirect.com/science/article/abs/pii/S0022286019301127
A combined methodology of Terahertz spectroscopy and Density functional theory based simulations is presented for a molecule to determine its molecular vibration frequency and associated configuration. A case study of diglycidylether of bisphenol A, which is an important ingredient of epoxy resin, has been presented in this manuscript. Apart from determination of absorbtion peaks in the THz regime both through experiment and simulation, the vibration configuration corresponding to each of the peaks are also presented. Within 3 THz, the refractive index of the material is determined to be within 1.15–1.3 and the dielectric constant is estimated as 1.5.