Conformational effects in excited state intramolecular proton transfer of organic compounds

BM Uzhinov, MN Khimich - Russian Chemical Reviews, 2011 - iopscience.iop.org
The results of investigations of excited state intramolecular proton transfer of organic
fluorophores with various intramolecular hydrogen bonds are analyzed. The efficiency and …

NLO properties of ester containing fluorescent carbazole based styryl dyes–Consolidated spectroscopic and DFT approach

M Rajeshirke, N Sekar - Optical Materials, 2018 - Elsevier
The linear and nonlinear optical (NLO) properties of new fluorescent styryl dyes based on
anchoring ester containing carbazole as donor appended to different acceptor groups to …

Fluorescence solvatochromism in lumichrome and excited-state tautomerization: a combined experimental and DFT study

NS Moyon, S Mitra - The Journal of Physical Chemistry A, 2011 - ACS Publications
Fluorescence solvatochromism of lumichrome (LC) was studied by steady-state and time-
resolved fluorescence spectroscopy. The excited-state properties of LC do not show any …

Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO–LUMO and NLO properties of 2-nitroacetophenone based on DFT …

G Venkatesh, M Govindaraju, P Vennila… - Journal of Theoretical …, 2016 - World Scientific
The FT-IR and FT-Raman analyses of 2-nitro acetophenone (2NAP) have been carried out
by density functional theory (DFT) calculations based on B3LYP level with 6-31G*/6-311+ …

Effect of solvent hydrogen bonding on excited-state properties of luminol: A combined fluorescence and DFT study

NS Moyon, AK Chandra, S Mitra - The Journal of Physical …, 2010 - ACS Publications
The effect of solvent on the photoluminescence behavior of luminol was studied by steady-
state fluorescence spectroscopy. The fluorescence spectral behavior of luminol is markedly …

Comprehensive DFT and TD-DFT studies on the photophysical properties of 5, 6-dichloro-1, 3-Bis (2-Pyridylimino)-4, 7-Dihydroxyisoindole: A new class of ESIPT …

S Kataria, L Rhyman, P Ramasami, N Sekar - Journal of fluorescence, 2016 - Springer
Abstract Hanson et al.[Org. Lett., 2011] reported the absorption and emission spectrum of 5,
6-dichloro-1, 3-bis (2-pyridylimino)-4, 7-dihydroxyisoindole but the excited-state …

Molecular dynamics simulation and density functional theory studies on the active pocket for the binding of paclitaxel to tubulin

S Xu, S Chi, Y Jin, Q Shi, M Ge, S Wang… - Journal of molecular …, 2012 - Springer
Paclitaxel (PTX) is used to treat various cancers, but it also causes serious side effects and
resistance. To better design similar compounds with less toxicity and more activity against …

Solvent effects on optical and electronic properties of carbazole-benzothiazole based bipolar compound: TD-DFT/PCM approach

N Bouzayen, M Mbarek, K Alimi - Moroccan Journal of Chemistry, 2015 - revues.imist.ma
Based on density functional theory (DFT), it is shown that solvent polartity induce a
modification in optical and electronic properties of a carbazole-benzothiazole bipolar …

Excited state charge transfer coupled double proton transfer reaction of 7-azaindole derivatives in methanol: a theoretical study

X Zhao, M Chen - The Journal of Physical Chemistry A, 2010 - ACS Publications
Excited state charge transfer coupled excited state double proton transfer (ESCT/ESDPT)
reaction in methanol (MeOH) for 3-cyano-7-azaindole (3-CNAI), 5-cyano-7-azaindole (5 …

Synthesis and fluorescence behavior of photoactive polyhydroquinoline derivatives: A combined experimental and DFT study

S Phukan, M Saha, AK Pal, S Mitra - Journal of Molecular Structure, 2013 - Elsevier
A series of biologically important substituted polyhydroquinoline derivatives were
synthesized by one-pot protocol using palladium nanoparticles as an efficient catalyst …