Title : ( Optical properties of novel coumarin-fused pyrano-pyridines: synthesis and TD-DFT calculations )
Authors: Faeze Roshan Shokranlu , Mohammad Izadyar , Abbas Ali Esmaeili ,
Full TextAbstract
A new class of π-extended coumarin-fused pyrano-pyridine derivatives was synthesized via an efficient one-pot multicomponent reaction. The structures of all compounds were confirmed using FT-IR, ¹H NMR, ¹³C NMR, and mass spectrometry. Photophysical investigations demonstrated that most of the molecules display strong fluorescence emission with quantum yields of up to 0.78. The maximum absorption was observed around 390 nm, while the emission spectrum revealed blue fluorescence centered near 450 nm. Furthermore, density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations provided insights into the electronic transitions responsible for their optical behavior.
Keywords
, Fused pyrano-pyridine, Photophysical study, Quantum yield, DFT, TD-DFT, Excited state dynamics
@article{paperid:1107279,
author = {Roshan Shokranlu, Faeze and Izadyar, Mohammad and Esmaeili, Abbas Ali},
title = {Optical properties of novel coumarin-fused pyrano-pyridines: synthesis and TD-DFT calculations},
journal = {Journal of Molecular Structure},
year = {2026},
volume = {1366},
month = {March},
issn = {0022-2860},
pages = {145864--145872},
numpages = {8},
keywords = {Fused pyrano-pyridine; Photophysical study; Quantum yield; DFT; TD-DFT; Excited state dynamics},
}
%0 Journal Article
%T Optical properties of novel coumarin-fused pyrano-pyridines: synthesis and TD-DFT calculations
%A Roshan Shokranlu, Faeze
%A Izadyar, Mohammad
%A Esmaeili, Abbas Ali
%J Journal of Molecular Structure
%@ 0022-2860
%D 2026
