Carbon a-electron densities and C-H stretching vibration frequencies of phenanthrene

الملخص EN

MTNDO/3-FORCES calculations were carried out for the vibration frequencies and IR absorption intensities of phenanthrene radical ions.

The obtained frequency values were compared with the experimental values when possible.

It was found that the C-H stretching frequencies are directly related to the carbon a-electron densities of the relevant atoms.