DFT studies and vibrational spectra of trans 1,2-bis(4-pyridyl)ethylene and its zinc(II)halide complexes

The vibrational spectral data obtained from the solid phase FT-IR spectra of trans 1,2-bis(4-pyridyl)ethylene and its zinc(II)halide complexes are assigned modes based on the results of the theoretical calculations. The observed spectra are found to be in good agreement with the calculations. Complexes of the type Zn(bpe)X2 [where X=Cl, Br, I] have been studied in the 4000-400 cm−1 region and assignments of all the observed bands were made. The analysis of the infrared spectra indicates that there is some structure-spectra correlations.