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

✍ Scribed by Ş. Yurdakul; M. Yurdakul

Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
182 KB
Volume
834-836
Category
Article
ISSN
0022-2860

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✦ Synopsis

We present a detailed analysis of the structure and infrared spectra of 2,2 0 -biquinoline. The vibrational frequencies of the 2,2 0 -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 0 -biquinoline were made on the basis of such calculations and the comparison with related molecules.

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