scholarly journals Purely Organic Room-Temperature Phosphorescence Endowing Fast Intersystem Crossing from Through-Space Spin–Orbit Coupling

JACS Au ◽  
2021 ◽  
Author(s):  
Jie Yu ◽  
Huili Ma ◽  
Wenbin Huang ◽  
Zhiwei Liang ◽  
Kang Zhou ◽  
...  
Keyword(s):  
Room Temperature ◽  
Orbit Coupling ◽  
Intersystem Crossing ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Room Temperature Phosphorescence

Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin–orbit coupling enhancement

2018 ◽  
Vol 2 (10) ◽  
pp. 1853-1858 ◽  
Author(s):  
Haichao Liu ◽  
Yu Gao ◽  
Jungang Cao ◽  
Tingxuan Li ◽  
Yating Wen ◽  
...  
Keyword(s):  
Room Temperature ◽  
Orbit Coupling ◽  
Organic Sulfur ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Room Temperature Phosphorescence ◽  
Sulfur Containing

A novel mechanism of folding-induced spin–orbit coupling enhancement is responsible for the efficient room temperature phosphorescence of a thianthrene emitter.

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

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...

Intersystem crossing driven by vibronic spin–orbit coupling: a case study on psoralen

2007 ◽  
Vol 9 (38) ◽  
pp. 5209 ◽  
Author(s):  
Jörg Tatchen ◽  
Natalie Gilka ◽  
Christel M. Marian
Keyword(s):  
Orbit Coupling ◽  
Intersystem Crossing ◽  
Spin Orbit Coupling ◽  
Spin Orbit

The influence of spin–orbit coupling, Duschinsky rotation and displacement vector on the rate of intersystem crossing of benzophenone and its fused analog fluorenone: a time dependent correlation function based approach

2020 ◽  
Vol 22 (42) ◽  
pp. 24399-24409
Author(s):  
Pijush Karak ◽  
Swapan Chakrabarti
Keyword(s):  
Correlation Function ◽  
Displacement Vector ◽  
Orbit Coupling ◽  
Time Dependent ◽  
Intersystem Crossing ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Complex Combination ◽  
Dependent Correlation ◽  
Mode Mixing

A time dependent correlation function based study reveals that the rate of intersystem crossing of benzophenone and its fused analog, fluorenone is governed by a complex combination of spin–orbit coupling, displacements and Duschinsky mode mixing.

scholarly journals Development of fluorinated benzils and bisbenzils as room-temperature phosphorescent molecules

2020 ◽  
Vol 16 ◽  
pp. 1154-1162 ◽  
Author(s):  
Shigeyuki Yamada ◽  
Takuya Higashida ◽  
Yizhou Wang ◽  
Masato Morita ◽  
Takuya Hosokai ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complex ◽  
Room Temperature ◽  
Transition Metal Complex ◽  
Photophysical Properties ◽  
Intersystem Crossing ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Design Synthesis ◽  
Catalyzed Oxidation

Pure organic phosphorescent molecules are attractive alternatives to transition-metal-complex-based phosphores for biomedical and technological applications owing to their abundance and nontoxicity. This article discloses the design, synthesis, and photophysical properties of fluorinated benzil and bisbenzil derivatives as potential pure organic room-temperature phosphorescent molecules. These compounds were separately converted from the corresponding fluorinated bistolanes via PdCl2-catalyzed oxidation by dimethyl sulfoxide, while nonfluorinated bistolane provided the corresponding bisbenzil derivatives exclusively in a similar manner. Intensive investigations of the photophysical properties of the benzil and bisbenzil derivatives in toluene at 25 °C showed both fluorescence with a photoluminescence (PL) band at a maximum wavelength (λPL) of around 400 nm and phosphorescence with a PL band at a λPL of around 560 nm. Interestingly, intersystem crossing effectively caused fluorinated benzils to emit phosphorescence, which may arise from immediate spin-orbit coupling involving the 1(n, π)→3(π, π) transition, unlike the case of fluorinated or nonfluorinated bisbenzil analogues. These findings offer a useful guide for developing novel pure organic room-temperature phosphorescent materials.

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