Kononov Lo, W. Tzeng
Jun 1, 2013
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Influential Citations
17
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Journal
Journal of Molecular Spectroscopy
Abstract
Abstract The band origin of the S 1 ← S 0 electronic transition ( E 1 ) of 3-chloro-4-fluoroaniline (3C4FA) is found to be 32 348 ± 2 cm −1 and the adiabatic ionization energy (IE) is 63 872 ± 5 cm −1 . Comparing the E 1 ’s and IEs of 3C4FA, 3-chloroaniline, 4-fluoroaniline, and aniline, we find an additivity rule which implies weak interactions among the Cl, F, and NH 2 substituents. Detailed analysis of the recorded vibronic and cation spectra suggests that the geometry, symmetry, and vibrational coordinates of the 3C4FA cation in the D 0 state resemble those of the neutral species in the S 1 state.