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.

Organische Schwefelverbindungen, X / Organosulfur Compounds, X

1974 ◽  
Vol 29 (7-8) ◽  
pp. 546-548 ◽  
Author(s):  
Gerhard Höhne ◽  
Freimut Marschner ◽  
Klaus Praefcke
Keyword(s):  
Charge Transfer ◽  
Significant Interaction ◽  
Intramolecular Charge Transfer ◽  
Organosulfur Compounds ◽  
Wave Band ◽  
Aliphatic Ketone ◽  
Uv Spectrum ◽  
Yellow Colour ◽  
Compound A ◽  
Long Wave

The photoelectron spectroscopic investigation of the unconjugated spiroketone of 1,3-oxathiol (1) shows that there is no significant interaction between the carbonyl group and the hetero-π-system, whereas in the UV-spectrum of this compound a long-wave band is measured, which can be assigned to an intramolecular charge-transfer and which causes the yellow colour of this aliphatic ketone.

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

Solvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transfer

2013 ◽  
Vol 144 (10) ◽  
pp. 1525-1535 ◽  
Author(s):  
Nebojša Banjac ◽  
Nemanja Trišović ◽  
Željko Vitnik ◽  
Vesna Vitnik ◽  
Nataša Valentić ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Quantum Chemical ◽  
Substituent Effect ◽  
Intramolecular Charge Transfer

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.

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