On the photonics of aromatic azide molecules

Energies of electronically excited states of a number of aromatic azides have been calculated using ab initio quantum-chemical methods. It has been shown that the relative arrangement of the singlet and triplet states of the A′ and A″ types changes with an increase in the number of π electrons in the system. As in the case of other classes of heteroaromatic molecules, five relative locations of these states are possible. On this basis, the dependence of the luminescent and photochemical properties of molecules of aromatic azides on their chemical structure has been rationalized.