A detailed theoretical simulation about the excited state dynamical process for the novel (benzo[d]thiazol‐2‐yl)‐5‐(9H‐carbazol‐9‐yl)phenol molecule

2019 ◽  
Vol 32 (6) ◽  
pp. e3942 ◽  
Author(s):  
Qiaoli Zhang ◽  
Tianjie Zhang ◽  
Shibo Cheng ◽  
Guang Yang ◽  
Min Jia ◽  
...  
Keyword(s):  
Excited State ◽  
Dynamical Process ◽  
The Novel ◽  
Theoretical Simulation ◽  
Phenol Molecule

Insights into the excited state dynamical process for 3-hydroxy-2-(5-(5-(5-(3-hydroxy-4-oxo-4H-chromen-2-yl)thiophen-2-yl)thiophen-2-yl)thiophen-2-yl)-4H-chromen-4-one

2018 ◽  
Vol 32 (3) ◽  
pp. e3911 ◽  
Author(s):  
Yusheng Wang ◽  
Guang Yang ◽  
Min Jia ◽  
Xiaoyan Song ◽  
Qiaoli Zhang ◽  
...  
Keyword(s):  
Excited State ◽  
Dynamical Process

Research on Solid Nanocluster NaXe for Making Micro-Excimer Laser

2017 ◽  
Vol 896 ◽  
pp. 9-12 ◽  
Author(s):  
Jia Chang Liang ◽  
Zhi Liu ◽  
Ting Jian Dong ◽  
Bo Liu ◽  
Dong Yan Chen ◽  
...  
Keyword(s):  
Excited State ◽  
Excimer Laser ◽  
Uv Radiation ◽  
Ground State ◽  
The Novel

The novel solid NaXe nanoclusters were prepared. Measurements and calculations indicated that solid NaXe nanocluster has easily vibration- dissociated ground state and stable excited state to emit UV radiation. In the meanwhile the solid nanocluster NaXe retains fcc position within the host NaCl matrix. Therefore，the integrated ultraviolet(UV)-micro-excimer-laser-matrix can be prepared by using solid NaXe nanoclusters.

scholarly journals Through-Space Interaction: What, Where and How?

2021 ◽  
Author(s):  
Junkai LIU ◽  
Haoke Zhang ◽  
lianrui hu ◽  
jun wang ◽  
Jacky W. Y. Lam ◽  
...  
Keyword(s):  
Excited State ◽  
Mechanistic Model ◽  
Blue Emission ◽  
Traditional Theory ◽  
Luminescent Materials ◽  
Aggregate State ◽  
Covalent Bonds ◽  
Theoretical Simulation ◽  
New Strategy ◽  
Phenyl Rings

<p><a></a><a>Electronic conjugation through covalent bonds is generally considered as the basis for the electronic transition of organic luminescent materials</a>. Tetraphenylethylene (TPE), an efficient fluorophore with aggregation-induced emission (AIE) character, its blue photoluminescence in aggregate state is always ascribed to the through-bond conjugation (TBC) among the four phenyl rings and the central C=C bond. Herein, systematic <a>spectrometry studies and ab initio theoretical simulation</a> were conducted for TPE and its derivatives, and intramolecular through-space interaction (TSI) between two vicinal phenyl rings is proved as the origin of the blue emission. Furthermore, aided by the evaluation of excited-state decay dynamics, the non-luminescent nature of TPE in solution is revealed as the result of excited-state evolution towards conical intersections via isomerization and cyclization. In aggregate state, the excited-state TSI (ESTSI) is stabilized by the restriction of intramolecular motions, and strong blue emission from through-space conjugation is induced. The mechanistic model of ESTSI delineated in this work provides a new strategy to design luminescent materials beyond the traditional theory of TBC, and expands the quantum understanding of molecular behavior into the aggregate level.</p>

scholarly journals Through-Space Interaction: What, Where and How?

2021 ◽  
Author(s):  
Junkai LIU ◽  
Haoke Zhang ◽  
lianrui hu ◽  
jun wang ◽  
Jacky W. Y. Lam ◽  
...  
Keyword(s):  
Excited State ◽  
Mechanistic Model ◽  
Blue Emission ◽  
Traditional Theory ◽  
Luminescent Materials ◽  
Aggregate State ◽  
Covalent Bonds ◽  
Theoretical Simulation ◽  
New Strategy ◽  
Phenyl Rings

<p><a></a><a>Electronic conjugation through covalent bonds is generally considered as the basis for the electronic transition of organic luminescent materials</a>. Tetraphenylethylene (TPE), an efficient fluorophore with aggregation-induced emission (AIE) character, its blue photoluminescence in aggregate state is always ascribed to the through-bond conjugation (TBC) among the four phenyl rings and the central C=C bond. Herein, systematic <a>spectrometry studies and ab initio theoretical simulation</a> were conducted for TPE and its derivatives, and intramolecular through-space interaction (TSI) between two vicinal phenyl rings is proved as the origin of the blue emission. Furthermore, aided by the evaluation of excited-state decay dynamics, the non-luminescent nature of TPE in solution is revealed as the result of excited-state evolution towards conical intersections via isomerization and cyclization. In aggregate state, the excited-state TSI (ESTSI) is stabilized by the restriction of intramolecular motions, and strong blue emission from through-space conjugation is induced. The mechanistic model of ESTSI delineated in this work provides a new strategy to design luminescent materials beyond the traditional theory of TBC, and expands the quantum understanding of molecular behavior into the aggregate level.</p>

scholarly journals On the origin of spatially dependent electronic excited-state dynamics in mixed hybrid perovskite thin films

2019 ◽  
Vol 58 (4) ◽  
Author(s):  
Ying-Zhong Ma ◽  
Benjamin Doughty ◽  
Mary Jane Simpson ◽  
Sanjib Das ◽  
Kai Xiao
Keyword(s):  
Thin Films ◽  
Excited State ◽  
Transient Absorption ◽  
Signal Amplitude ◽  
Spatial Location ◽  
Optoelectronic Device ◽  
Dynamical Process ◽  
Spectroscopic Techniques ◽  
Excited State Dynamics ◽  
Electronic Excited State

The fundamental photophysics underlying the remarkable performance of organic-inorganic hybrid perovskites in optoelectronic device applications has been increasingly studied using complementary spectroscopic techniques. However, the spatially heterogeneous polycrystalline morphology of the solution-processed thin films is often overlooked in conventional ensemble measurements and therefore the reported results are averaged over hundreds or even thousands of nano- and micro-crystalline grains. Here, we apply femtosecond transient absorption microscopy to spatially and temporally probe ultrafast electronic excited-state dynamics in chloride containing mixed lead halide perovskite (CH3NH3PbI3–xClx) thin films. We found that the electronic excited-state relaxation kinetics are extremely sensitive to the spatial location probed, which was manifested by position-dependent transient absorption signal amplitude and decay behaviour, along with an obvious rise component at some positions. The analysis of transient absorption kinetics acquired at several distinct spatial positions enabled us to identify Auger recombination as the dominant mechanism underlying the initial portions of the spatially dependent dynamics with variable rate constants. The different rates observed suggest occurrence of distinct local electronic structures and variable contributions from impurities/defects and phonons in this nonlinear dynamical process.

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