Vibrational frequencies and structural determination of 2,2 '-biquinoline

2007-05-27
We present a detailed analysis of the structure and infrared spectra of 2,2'-biquinoline. The vibrational frequencies of the 2,2'-biquinoline molecule have been analyzed using standard quantum chemical techniques. Frequencies have been calculated with HF, and DFT (BLYP, B3LYP and B3PW91) theory, using the standard 6-311G* as the basis set. The assignments of the observed bands corresponding to 2,2'-biquinoline were made on the basis of such calculations and the comparison with related molecules.
Citation Formats
S. Yurdakul and M. H. Yurdakul, “Vibrational frequencies and structural determination of 2,2 ’-biquinoline,” pp. 555–560, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/32092.