title: The vibrational spectra of E-1,2-bis(3-methoxy-2-thienyl)ethene in the crystalline phase.
abstract: Density functional theoretical (DFT) calculations using the 6-311+G* basis set were carried out to study the vibrational spectrum of E-1,2-bis(3-methoxy-2-thienyl)ethene in the solid state. Based on the calculated frequencies, infrared intensities and potential energy distributions (PED), the experimental IR and Raman spectra of the solid phase were assigned.
mesh_terms: D002623:Chemistry Techniques, Analytical; D002942:Circular Dichroism; D005030:Ethylenes / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D005030:Ethylenes