Fig. 8: Key geometrical changes in quinazoline during the overall relaxation process. | Communications Chemistry

Fig. 8: Key geometrical changes in quinazoline during the overall relaxation process.

From: Excited state dynamics of azanaphthalenes reveal opportunities for the rational design of photoactive molecules

Fig. 8

Firstly, a shows the changes in the C–N–C bond angles due to the nitrogen-centred ring in-plane bend, which occurs as the molecule decays to the S1 state from the initially excited ππ* state. Secondly, b displays the typical out-of-plane distortion, which occurs as the S1/S0 MECIs are approached from the S1 (1nπ*) minimum. Data are representative of behaviour seen in all six systems under study.

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