Electronic structure and intramolecular charge transfer in the anion of 10-(4-hydroxybenzylidene)anthrone

1990 ◽  
Vol 31 (2) ◽  
pp. 217-221
Author(s):  
S. M. Shevchenko ◽  
S. G. Semenov
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer

scholarly journals Molecular Orbital Theory of the Electronic Structure of Organic Compounds IV. A CNDO/S-CI SCF MO Study on the Lower Electronic States of Large Molecules. Singlet-triplet Transitions of Dioxodiazacycloalkanes

1982 ◽  
Vol 37 (3) ◽  
pp. 232-237
Author(s):  
Horacio Grinberg ◽  
Julio Marañon ◽  
Oscar M. Sorarrain
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Molecular Orbital ◽  
Excited States ◽  
Intramolecular Charge Transfer ◽  
Electronic States ◽  
Solvation Energy ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Large Molecules

Abstract The semiempirical molecular orbital CNDO/S-CI spectral parameterization has been used to elucidate the lower triplet electronic states of a series of dioxodiazacycloalkanes. The 1 3 B2(n0π*) and 1 3 A2 (n0π*) triplet spectroscopic states involve intramolecular charge transfer from the oxygen to the carbon atom of the carbonyl group, which is supported by electron density calculations of these excited states. The solvation energy was incorporated in the calculations.

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

Steric Effects on Intramolecular Charge Transfer Fluorescence of Benzo[b]thiophene-1,1-dioxide Bridged Macrocages

2021 ◽  
Author(s):  
Keita Nobuhara ◽  
Yusuke Inagaki ◽  
Wataru Setaka
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Fluorescence Properties ◽  
Steric Effects ◽  
Sensor Molecules

Intramolecular charge transfer (ICT) fluorescence has been widely investigated and exploited in sensor molecules. However, steric effects on the ICT fluorescence properties have rarely been reported so far, although research...

scholarly journals Counterion Migration Driven by Light-Induced Intramolecular Charge Transfer

JACS Au ◽  
2021 ◽  
Author(s):  
Ta-Chun Lin ◽  
Zong-Ying Liu ◽  
Shih-Hung Liu ◽  
Igor O. Koshevoy ◽  
Pi-Tai Chou
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer
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