Author/Authors :
Bakalova، نويسنده , , Snezhana and Mendicuti، نويسنده , , Francisco and Castaٌo، نويسنده , , Obis and Kaneti، نويسنده , , Jose، نويسنده ,
Abstract :
A new heterocyclic system, pyrido[6,5-a]boratriazine, has been designed with the aid of TD DFT (TDA) and other quantum mechanical calculations aiming at tunable UV–Vis-Near IR absorption and intense fluorescence, conveniently sensitive to the environment. Special emphasis has been put on solvent effects on the mentioned electronic transition energies and intensities.