Density functional theory calculations and vibrational spectra of 6-methyl 1,2,3,4-tetrahyroquinoline.

@article{Krishnakumar2008DensityFT,
  title={Density functional theory calculations and vibrational spectra of 6-methyl 1,2,3,4-tetrahyroquinoline.},
  author={Varadhan Krishnakumar and N. Prabavathi and S Muthunatesan},
  journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy},
  year={2008},
  volume={69 3},
  pages={853-9}
}
The solid phase FTIR and Raman spectra of 6-methyl 1,2,3,4-tetrahydroquinoline (MTHQ) have been recorded in the regions 4000-100 and 3500-100 cm(-1), respectively. The spectra were interpreted with the aid of normal coordinate analysis following a full structure optimization and force field calculations based on the density functional theory (DFT) using the… CONTINUE READING