A Vibrational Spectroscopic Investigation of 2,2'-Bithiophene Using Experimental and DFT Methods

Organic compounds like 2,2’-Bithiophene (with a synonym. 2,2'-bithienyl, 2,2'-dithienyl)-containing bis(dioxaborin) have drawn significant concern in the area of materials science because their electron affinity and luminescent properties. With this motivation, we been concentrating on properties functions 2,2'-Bithiophene. The vibrational frequencies molecule 2,2'-Bithiophene solid phase were recorded using Fourier Transformed-Infrared (FT-IR) FT-Raman spectrometers. Meanwhile, molecular geometric parameters, spectral wavenumbers, HOMO-LUMO analysis electrostatic potential (MEP) computed at B3LYP/ 6-311++G (d,p) level theory. Furthermore, comparison between experimental calculated values for exhibits good agreement.