Substituents Destabilize the Molecule by Increasing Biradicaloid Character and Stabilize by Intramolecular Charge Transfer in the Derivatives of Benzobis(thiadiazole) and Thiadiazolothienopyrazine: A Computational Study

ChemPhysChem ◽  
2011 ◽  
Vol 12 (17) ◽  
pp. 3458-3466 ◽  
Author(s):  
Anup Thomas ◽  
Gunturu Krishna Chaitanya ◽  
Kotamarthi Bhanuprakash ◽  
Komuri M. M. Krishna Prasad
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Computational Study ◽  
Derivatives Of

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.

Effect of the π Bridge and Acceptor on Intramolecular Charge Transfer in Push-Pull Cationic Chromophores: An Ultrafast Spectroscopic and TD-DFT Computational Study

ChemPhysChem ◽  
2015 ◽  
Vol 16 (7) ◽  
pp. 1440-1450 ◽  
Author(s):  
Benedetta Carlotti ◽  
Enrico Benassi ◽  
Vincenzo Barone ◽  
Giuseppe Consiglio ◽  
Fausto Elisei ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Computational Study ◽  
Td Dft

ChemInform Abstract: Intramolecular Charge Transfer in the Series of Styryl Derivatives of Pyridine and Quinoline N-Oxides.

ChemInform ◽  
2010 ◽  
Vol 30 (1) ◽  
pp. no-no
Author(s):  
V. P. ANDREEV ◽  
E. G. BATOTSYRENOVA ◽  
A. V. RYZHAKOV ◽  
L. L. RODINA
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Derivatives Of

Structure–property relationship of donor–acceptor acridones – an optical, electrochemical and computational study

2015 ◽  
Vol 17 (32) ◽  
pp. 20903-20911 ◽  
Author(s):  
K. D. Thériault ◽  
C. Radford ◽  
M. Parvez ◽  
B. Heyne ◽  
T. C. Sutherland
Keyword(s):  
Charge Transfer ◽  
Organic Materials ◽  
Intramolecular Charge Transfer ◽  
Computational Study ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Donor Acceptor ◽  
Relationship Of

The effect of changing acceptor strength on intramolecular charge transfer absorption and its implication towards organic materials are investigated.

Tris(trifluoromethyl)germylethynyl derivatives of biphenyl and anthracene: Synthesis, structure, and evidence of the intramolecular charge transfer on the germanium center

2015 ◽  
Vol 797 ◽  
pp. 83-95 ◽  
Author(s):  
Nikolai L. Ermolaev ◽  
Ilya V. Lenin ◽  
Georgii K. Fukin ◽  
Andrei S. Shavyrin ◽  
Mikhail A. Lopatin ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Derivatives Of
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