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

Selin Gümrükçü, Ramazan Katırcı, Mukaddes Özçeşmeci, Caner Ünlü, İbrahim Özçeşmeci*

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2 Atıf (Scopus)

Özet

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.

Orijinal dilİngilizce
Makale numarası110215
DergiInorganic Chemistry Communications
Hacim146
DOI'lar
Yayın durumuYayınlandı - Ara 2022

Bibliyografik not

Publisher Copyright:
© 2022 Elsevier B.V.

Finansman

We would like to thank Istanbul Technical University Research Fund (Project Numbers: 42274 and 43057) for financial support and scholarship. The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources) and some computing resources were provided by the National Center for High Performance Computing of Turkey (UHeM) under grant number (agi1bt). Selin Gümrükçü thanks TUBITAK-BIDEB for a PhD scholarship. We would like to thank Istanbul Technical University Research Fund (Project Numbers: 42274 and 43057) for financial support and scholarship. The numerical calculations reported in this paper were partially performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRUBA resources) and some computing resources were provided by the National Center for High Performance Computing of Turkey (UHeM) under grant number (agi1bt). Selin Gümrükçü thanks TUBITAK-BIDEB for a PhD scholarship.

FinansörlerFinansör numarası
Istanbul Technical University Research Fund42274, 43057
National Center for High Performance Computing of Turkey
TUBITAK ULAKBIM
TUBITAK-BIDEB
Ulusal Yüksek Başarımlı Hesaplama Merkezi, Istanbul Teknik Üniversitesi

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