Solvation-Dependent Excited-State Dynamics of Donor–Acceptor Molecules with Hybridized Local and Charge Transfer Character

2020 ◽  
Vol 124 (10) ◽  
pp. 5574-5582 ◽  
Author(s):  
Wei Zhang ◽  
Jie Kong ◽  
Dehua Hu ◽  
Min Tao ◽  
Xinmiao Niu ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Excited State Dynamics ◽  
Donor Acceptor ◽  
Acceptor Molecules

Accurate description of hybridized local and charge-transfer excited-state in donor–acceptor molecules using density functional theory

RSC Advances ◽  
2016 ◽  
Vol 6 (110) ◽  
pp. 108404-108410 ◽  
Author(s):  
Y. Y. Pan ◽  
J. Huang ◽  
Z. M. Wang ◽  
S. T. Zhang ◽  
D. W. Yu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Charge Transfer ◽  
Ground State ◽  
Density Functional ◽  
Accurate Description ◽  
Functional Theory ◽  
Donor Acceptor ◽  
Acceptor Molecules

The ωB97X was the most reliable functional for the accurate description of HLCT state at ground state and excited state.

Modulating absorption and charge transfer in bodipy-carbazole donor–acceptor dyads through molecular design

2019 ◽  
Vol 48 (23) ◽  
pp. 8488-8501 ◽  
Author(s):  
John Strahan ◽  
Bhooshan C. Popere ◽  
Piyachai Khomein ◽  
Craig A. Pointer ◽  
Shea M. Martin ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Absorption Spectroscopy ◽  
Transient Absorption ◽  
Molecular Design ◽  
Transient Absorption Spectroscopy ◽  
Excited State Dynamics ◽  
Donor Acceptor

Bodipy-based donor–acceptor dyads were evaluated using transient absorption spectroscopy to reveal the influence of beta vs. meso substitution on excited-state dynamics.

Excited state dynamics for hybridized local and charge transfer state fluorescent emitters with aggregation-induced emission in the solid phase: a QM/MM study

2017 ◽  
Vol 19 (44) ◽  
pp. 29872-29879 ◽  
Author(s):  
Jianzhong Fan ◽  
Lei Cai ◽  
Lili Lin ◽  
Chuan-Kui Wang
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Solid Phase ◽  
Charge Transfer State ◽  
Aggregation Induced Emission ◽  
Excited State Dynamics ◽  
Transfer State

Investigation on the excited state dynamics to reveal the AIE and HLCT mechanisms by a QM/MM method.

Ultrafast excited state dynamics of fucoxanthin: excitation energy dependent intramolecular charge transfer dynamics

2011 ◽  
Vol 13 (22) ◽  
pp. 10762 ◽  
Author(s):  
Daisuke Kosumi ◽  
Toshiyuki Kusumoto ◽  
Ritsuko Fujii ◽  
Mitsuru Sugisaki ◽  
Yoshiro Iinuma ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Excitation Energy ◽  
Intramolecular Charge Transfer ◽  
Excited State Dynamics ◽  
Charge Transfer Dynamics ◽  
Energy Dependent

Ultrafast Excited-State Dynamics of Donor–Acceptor Biaryls: Comparison between Pyridinium and Pyrylium Phenolates

2013 ◽  
Vol 117 (49) ◽  
pp. 13112-13126 ◽  
Author(s):  
Romain Letrun ◽  
Marius Koch ◽  
Marina L. Dekhtyar ◽  
Vladimir V. Kurdyukov ◽  
Alexei I. Tolmachev ◽  
...  
Keyword(s):  
Excited State ◽  
Excited State Dynamics ◽  
Donor Acceptor

Bending-Type Electron Donor–Donor–Acceptor Triad: Dual Excited-State Charge-Transfer Coupled Structural Relaxation

2019 ◽  
Vol 31 (15) ◽  
pp. 5981-5992 ◽  
Author(s):  
Jia-An Lin ◽  
Shu-Wei Li ◽  
Zong-Ying Liu ◽  
Deng-Gao Chen ◽  
Chun-Ying Huang ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Electron Donor ◽  
Structural Relaxation ◽  
Donor Acceptor ◽  
State Charge
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