The nature of the excited states of p-nitro-N,N-dimethylaniline.

Dobkowski, J.; Herbich, J.; Waluk, J.; Koput, J.; Kühnle, W.

doi:10.1016/0022-2313(89)90050-1

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The nature of the excited states of p-nitro-N,N-dimethylaniline.

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Kühnle, W.
Department of Spectroscopy and Photochemical Kinetics, MPI for biophysical chemistry, Max Planck Society;

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Dobkowski, J., Herbich, J., Waluk, J., Koput, J., & Kühnle, W. (1989). The nature of the excited states of p-nitro-N,N-dimethylaniline. Journal of Luminescence, 44(3), 149-160. doi:10.1016/0022-2313(89)90050-1.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002C-28B7-C

Abstract

Contrary to numerous derivatives of p-substituted N,N-dimethyl-aniline, p-nitro-N,N-dimethylaniline, does not form the TICT state. This behaviour is predicted by INDO/S calculations. The calculations also reveal an important role of the Coulomb interaction term in the evolution of intramolecular charge-transfer excited-state energy upon twisting of the dimethylamino group.