Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline

2013 ◽  
Vol 111 (9-11) ◽  
pp. 1235-1248 ◽  
Author(s):  
Janus J. Eriksen ◽  
Stephan P.A. Sauer ◽  
Kurt V. Mikkelsen ◽  
Ove Christiansen ◽  
Hans Jørgen Aa. Jensen ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Charge Transfer Excitation

Intramolecular charge transfer excitation induced by CH3O substitution in 3-methoxy-1-propoxy radical

2021 ◽  
Author(s):  
Junfei Xue ◽  
Tai Qin ◽  
Lily Zu
Keyword(s):  
Charge Transfer ◽  
Secondary Organic Aerosol ◽  
Intramolecular Charge Transfer ◽  
Organic Aerosol ◽  
Ozone Production ◽  
Alkoxy Radicals ◽  
Charge Transfer Excitation

The oxy-substituted alkoxy radicals are generated in the oxidation of ethers. Its degradation path affects the ozone production and the formation of secondary organic aerosol in atmosphere. In this work,...

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...

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