scholarly journals Competition between Singlet Fission and Spin‐Orbit‐Induced Intersystem Crossing in Anthanthrene and Anthanthrone Derivatives

ChemPlusChem ◽  
2019 ◽  
Vol 84 (9) ◽  
pp. 1432-1438 ◽  
Author(s):  
Youn Jue Bae ◽  
Matthew D. Krzyaniak ◽  
Marek B. Majewski ◽  
Maude Desroches ◽  
Jean‐François Morin ◽  
...  
Keyword(s):  
Intersystem Crossing ◽  
Spin Orbit ◽  
Singlet Fission

scholarly journals Intersystem crossing processes in the 2CzPN emitter: a DFT/MRCI study including vibrational spin–orbit interactions

2021 ◽  
Vol 23 (5) ◽  
pp. 3668-3678
Author(s):  
Angela Rodriguez-Serrano ◽  
Fabian Dinkelbach ◽  
Christel M. Marian
Keyword(s):  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Intersystem Crossing ◽  
Spin Orbit ◽  
Spin Orbit Interactions

Multireference quantum chemical calculations were performed in order to investigate the (reverse) intersystem crossing ((R)ISC) mechanisms of 4,5-di(9H-carbazol-9-yl)-phthalonitrile (2CzPN).

Effect of vibronically induced spin-orbit coupling of electronic ππ* states on nonradiative intersystem crossing: Naphthalene

2009 ◽  
Vol 106 (4) ◽  
pp. 483-489 ◽  
Author(s):  
V. G. Klimenko ◽  
E. A. Gastilovich ◽  
S. A. Serov ◽  
R. N. Nurmukhametov
Keyword(s):  
Orbit Coupling ◽  
Intersystem Crossing ◽  
Spin Orbit Coupling ◽  
Spin Orbit

Intersystem Crossing and Triplet Fusion in Singlet-Fission-Dominated Rubrene-Based OLEDs Under High Bias Current

2018 ◽  
Vol 10 (2) ◽  
pp. 1948-1956 ◽  
Author(s):  
Xiantong Tang ◽  
Yeqian Hu ◽  
Weiyao Jia ◽  
Ruiheng Pan ◽  
Junquan Deng ◽  
...  
Keyword(s):  
Bias Current ◽  
Intersystem Crossing ◽  
Singlet Fission ◽  
High Bias

An efficient implementation of spin-orbit coupling within the framework of semiempirical orthogonalization-corrected method for ultrafast intersystem crossing dynamics

2021 ◽  
Author(s):  
Jie Liu ◽  
Zhenggang Lan ◽  
Jinlong Yang
Keyword(s):  
Excited State ◽  
Configuration Interaction ◽  
Efficient Implementation ◽  
Orbit Coupling ◽  
Intersystem Crossing ◽  
Spin Orbit Coupling ◽  
Spin Orbit

We implement spin-orbit couplings (SOC) within the framework of semiempirical orthogonalization-corrected methods (OMx). The excited-state wavefunction is generated from configuration interaction with single excitations (CIS). The SOC Hamiltonian in terms...

Carbazole-perylenebisimide electron donor/acceptor dyads showing efficient spin orbit charge transfer intersystem crossing (SOCT-ISC) and photo-driven intermolecular electron transfer

2020 ◽  
Vol 8 (14) ◽  
pp. 4701-4712 ◽  
Author(s):  
Noreen Rehmat ◽  
Antonio Toffoletti ◽  
Zafar Mahmood ◽  
Xue Zhang ◽  
Jianzhang Zhao ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Electron Donor ◽  
Intersystem Crossing ◽  
Spin Orbit ◽  
Intermolecular Electron Transfer ◽  
Donor Acceptor

An efficient spin orbit charge transfer intersystem crossing (SOCT-ISC) was demonstrated in non-orthogonal compact carbazole-perylenebisimide electron donor/acceptor dyads.

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