Solvent and substituent effects on intramolecular charge transfer of selected derivatives of 4-trifluoromethyl-7-aminocoumarin

1987 ◽  
Vol 83 (8) ◽  
pp. 2533 ◽  
Author(s):  
Guo Chu ◽  
Feng Yangbo
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Substituent Effects ◽  
Derivatives Of

Substituent Effects on the Intramolecular Charge Transfer and Fluorescence of Bimetallic Platinum Complexes

2011 ◽  
Vol 115 (24) ◽  
pp. 6390-6393 ◽  
Author(s):  
Guang-Jiu Zhao ◽  
Fabiao Yu ◽  
Ming-Xing Zhang ◽  
Brian H. Northrop ◽  
Haibo Yang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Substituent Effects ◽  
Platinum Complexes

Spectroscopic Studies of Dimethylamino Derivatives of Fluorene

2000 ◽  
Vol 55 (11-12) ◽  
pp. 902-908 ◽  
Author(s):  
J. Heldt ◽  
J. R. Heldt ◽  
T. Redzimski ◽  
H. Diehl ◽  
P. Schultz
Keyword(s):  
Dipole Moment ◽  
Excited State ◽  
Charge Transfer ◽  
Fluorescence Spectra ◽  
Intramolecular Charge Transfer ◽  
Stokes Shift ◽  
Spectroscopic Studies ◽  
Polar Solvents ◽  
Derivatives Of ◽  
Transfer State

Abstract 2-dimethylamino-9-fluorenol and 2-dimethylamino-9(4'dimethylamino)phenyl-9-fiuorenol in polar solvents in the excited state undergo conformation changes in which two fluorescent isomers are created. The isomers (in the local excited (LE) and charge transfer (CT) configuration) possess separate fluorescence bands, one appearing from the S1 (LE) state and the second from the intramolecular charge transfer state S1 (CT) of the neutral, aromatic molecule. Both bands show a solvatochromic effect. Using the method of the solvent induced Stokes shift of the absorption and fluorescence spectra the permanent dipole moment of the excited state of fluorene and its two derivatives have been determined. The dipole moment of the ground state and the Onsager cavity radius of the studied molecules were calculated with the Auestion Model 1 (AM1) program.

scholarly journals Experimental and theoretical study on solvent and substituent effects on the intramolecular charge transfer in 3-[(4-substituted)phenylamino]isobenzofuran-1(3H)-ones

2018 ◽  
Vol 83 (2) ◽  
pp. 139-155 ◽  
Author(s):  
Nevena Prlainovic ◽  
Milica Rancic ◽  
Ivana Stojiljkovic ◽  
Jasmina Nikolic ◽  
Sasa Drmanic ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Charge Transfer ◽  
Density Functional ◽  
Energy Gap ◽  
Intramolecular Charge Transfer ◽  
Substituent Effects ◽  
Dft Method ◽  
Electronic Excitations ◽  
Functional Theory ◽  
Td Dft

The substituent and solvent effects on solvatochromism in 3-[(4-substituted) phenylamino]isobenzofuran-1(3H)-ones were studied using experimental and theoretical methodologies. The effect of specific and non-specific solvent?solute interactions on the shifts of UV?Vis absorption maxima were evaluated using the Kamlet?Taft and Catal?n solvent parameter sets. The experimental results were studied by density functional theory (DT) and time-dependent density functional theory (TD-DFT). The HOMO/LUMO energies (EHOMO/ELUMO) and energy gap (Egap) values, as well as the mechanism of electronic excitations and the changes in the electron density distribution in both ground and excited states of the investigated molecules were studied by calculation in the gas phase. The electronic excitations were calculated by the TD-DFT method in the solvent methanol. It was found that both substituents and solvents influence the degree of ?-electron conjugation of the synthesized molecules and affect the intramolecular charge transfer character.

Analysis of solvent and substituent effects on uv and visible spectra of N-(α-methylarylidene)-p-(N′,N′-dimethylamino)-anilines

1985 ◽  
Vol 63 (11) ◽  
pp. 3256-3257
Author(s):  
Piotr Milart ◽  
Tadeusz M. Krygowski
Keyword(s):  
Charge Transfer ◽  
Solvent Effect ◽  
Substituent Effect ◽  
Intramolecular Charge Transfer ◽  
Substituent Effects ◽  
Wave Band ◽  
Hammett Equation ◽  
Long Wave ◽  
Visible Spectra

Substituent effect on the long wave band in uv/vis spectra of p-substituted N-(α-methylarylidene)-p-(N′,N′-dimethylamino)-anilines (X = CH3O, CH3, H, Cl, and NO2) measured in eight solvents follows well the Hammett equation. Solvent effect on this band depends well on ET only for Cl- and NO2-substituted species. Both these findings support the conclusion that the long-wave band is in fact intramolecular charge transfer form the basicity center [Formula: see text] towards substituents.

Sign in / Sign up

Export Citation Format

Share Document