Energy transfer processes in 1,3-bis(pyridyl) iminoisoindoline based donor–acceptor system – Synthesis, photophysics, and TD-DFT study

Gümrükçü S., Katırcı R., Özçeşmeci M., Ünlü C., Özçeşmeci İ.

Inorganic Chemistry Communications, vol.146, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 146
  • Publication Date: 2022
  • Doi Number: 10.1016/j.inoche.2022.110215
  • Journal Name: Inorganic Chemistry Communications
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, DIALNET
  • Keywords: 3-Bis(2-pyridylimino)isoindoline (BPI), Pincer Ligand, Density Functional Theory (DFT), Energy Transfer
  • Istanbul Technical University Affiliated: Yes


© 2022 Elsevier B.V.Isoindoline and its derivatives perform a critical role in the development of pincer-like chemicals, metal chelates and novel chromophores. In this study, 1,3-bis(2-pyridylimino)isoindoline derivative bearing phenol unit and its zinc complex were synthesized and characterized by NMR, FTIR, UV–Vis, and mass spectroscopic methods. The electronic (chemical hardness, electronegativity, electron affinity) and optical properties of the Phenol-BPI and Phenol-BPI-Zn were investigated using density functional theory (DFT) and time dependent density functional theory (TD-DFT) respectively. The excitation and emission results confirmed that the phenomenon of energy transfer is carried out in the Phenol-BPI and Phenol-BPI-Zn molecules when a phenol group is added to the structure.