TD-DFT performance for the visible absorption spectra of organic dyes: conventional versus long-range hybrids

D Jacquemin, EA Perpete, GE Scuseria… - Journal of chemical …, 2008 - ACS Publications
The π→ π* transitions of more than 100 organic dyes from the major classes of
chromophores (quinones, diazo,...) have been investigated using a Time-Dependent …

On the estimation of excited-state dipole moments from solvatochromic shifts of absorption and fluorescence spectra

A Kawski - Zeitschrift für Naturforschung A, 2002 - degruyter.com
The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ (Ɛ, n) appearing in
solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere …

Synthesis and Excited-State Properties of Donor–Acceptor Azahelical Coumarins

K Jana, D Sarkar, P Jaiswal… - The Journal of Organic …, 2023 - ACS Publications
A set of three donor–acceptor azahelical coumarins (DA-AHC s), namely, H-AHC, Me-AHC,
and Ph-AHC, were rationally designed and synthesized, and their excited-state properties …

Solvent effect on absorption and fluorescence spectra of coumarin laser dyes: evaluation of ground and excited state dipole moments

JR Mannekutla, BG Mulimani, SR Inamdar - Spectrochimica Acta Part A …, 2008 - Elsevier
The effect of solvents on absorption and fluorescence spectra and dipole moments of
coumarin 307 (C307) and coumarin 522B (C522B) have been studied extensively in various …

A General Strategy Toward pH‐Resistant Phenolic Fluorophores for High‐Fidelity Sensing and Bioimaging Applications

S Sarkar, A Shil, S Maity, YL Jung, M Dai… - Angewandte Chemie …, 2023 - Wiley Online Library
Aryl alcohol‐type or phenolic fluorophores offer diverse opportunities for developing
bioimaging agents and fluorescence probes. Due to the inherently acidic hydroxyl …

Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins

D Jacquemin, EA Perpète, G Scalmani… - The Journal of …, 2006 - pubs.aip.org
Using time-dependent density functional theory (TD-DFT) and the polarizable continuum
model, we have computed the electronic transitions of a large panel of coumarin dyes in …

Spectroscopic characterization and assessment of microbiological potential of 1, 3, 4-thiadiazole derivative showing ESIPT dual fluorescence enhanced by …

I Budziak-Wieczorek, L Ślusarczyk… - Scientific Reports, 2022 - nature.com
In the presented study, advanced experimental techniques, including electronic absorption
and fluorescence spectroscopies [with Resonance Light Scattering (RLS)], measurements of …

[PDF][PDF] RETRACTED ARTICLE: Optical, photo-physical and photo-stability characterizations of malachite green as a laser dye, combined with TD-DFT simulations

AR Ghazy, DF Abotalb, ER Kenawy… - Optical and Quantum …, 2024 - academia.edu
The optical properties of Malachite green (Mg) dye were examined experimentally, including
absorption, optical energy gab, refractive index, dielectric constant, optical conductivity and …

Synthesis and evaluation of Quinoline-3-carbonitrile derivatives as potential antibacterial agents

SA Khan, AM Asiri, HM Basisi, M Asad, MEM Zayed… - Bioorganic …, 2019 - Elsevier
New quinoline-3-carbonitrile derivatives were synthesized and evaluated for their potential
antibacterial behavior. Compounds were obtained by a one-pot multicomponent reaction of …

Tuning the optical and photophysical characteristics of DR1 through mixing with JGB

AR Ghazy, SAA Gawad, A Ashraf, S Ahmed… - … Acta Part A: Molecular …, 2025 - Elsevier
A dye mixture of Disperse red1 (DR1) and Janus green B (JGB) was prepared with different
concentrations of the two dyes. The optical properties were studied for the two dyes and their …