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

Date

2007-05-27

Author

Yurdakul, S.
Yurdakul, Murat Hayrettin

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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.

Subject Keywords

2,2 '-biquinoline, IR spectra, DFT, HF, Vibrational assignment

URI

https://hdl.handle.net/11511/32092

Journal

JOURNAL OF MOLECULAR STRUCTURE

DOI

https://doi.org/10.1016/j.molstruc.2006.11.070

Collections

Graduate School of Natural and Applied Sciences, Article

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Citation Formats

S. Yurdakul and M. H. Yurdakul, “Vibrational frequencies and structural determination of 2,2 ’-biquinoline,” JOURNAL OF MOLECULAR STRUCTURE, pp. 555–560, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/32092.