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.
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