Add time:07/16/2019         Source:sciencedirect.com

The band origin of the S1 ← S0 electronic transition (E1) 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 E1’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 NH2 substituents. Detailed analysis of the recorded vibronic and cation spectra suggests that the geometry, symmetry, and vibrational coordinates of the 3C4FA cation in the D0 state resemble those of the neutral species in the S1 state.

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