scholarly journals Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives

2011 ◽  
Vol 135 (1) ◽  
pp. 014304 ◽  
Author(s):  
Chunmei Deng ◽  
Yingli Niu ◽  
Qian Peng ◽  
Anjun Qin ◽  
Zhigang Shuai ◽  
...  
Keyword(s):  
Radiative Decay ◽  
Theoretical Study

Theoretical study of the substituent effect controlling the radiative and non-radiative decay processes of platinum(ii) complexes

2017 ◽  
Vol 19 (34) ◽  
pp. 23532-23540 ◽  
Author(s):  
Wei Shen ◽  
Wenting Zhang ◽  
Chaoyuan Zhu
Keyword(s):  
Substituent Effect ◽  
Radiative Decay ◽  
Theoretical Study ◽  
Energy Gap ◽  
Organometallic Complexes ◽  
Relaxation Dynamics ◽  
Energy Gap Law ◽  
Triplet Triplet Annihilation

By taking into account the energy gap law, relaxation dynamics and triplet–triplet annihilation (TTA), six organometallic complexes are systematically investigated for possible non-radiative decay processes.

scholarly journals Theoretical study of radiative recombination and the sub-sequent radiative decay processes in highly charged Au ions

2010 ◽  
Vol 59 (6) ◽  
pp. 3871
Author(s):  
Sang Cui-Cui ◽  
Wang Yong-Jun ◽  
Wan Jian-Jie ◽  
Ding Xiao-Bin ◽  
Dong Chen-Zhong
Keyword(s):  
Radiative Recombination ◽  
Radiative Decay ◽  
Theoretical Study

Theoretical Study of the Low-Lying Excited States of Butoxy Radicals and Non-Radiative Decay Routes

2007 ◽  
Vol 25 (10) ◽  
pp. 1467-1473 ◽  
Author(s):  
Ling LIN ◽  
Li-Li ZU ◽  
Wei-Hai FANG ◽  
Jian-Guo YU ◽  
Ruo-Zhuang LIU
Keyword(s):  
Excited States ◽  
Radiative Decay ◽  
Theoretical Study

2-Aminopurine non-radiative decay and emission in aqueous solution: A theoretical study

2008 ◽  
Vol 463 (1-3) ◽  
pp. 201-205 ◽  
Author(s):  
Valdemir Ludwig ◽  
Marcos Serrou do Amaral ◽  
Zélia M. da Costa ◽  
Antonio Carlos Borin ◽  
Sylvio Canuto ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Radiative Decay ◽  
Theoretical Study

scholarly journals Theoretical study on radiative electron capture and subsequent radiative decay in collision of Xe54+ with Xe

2015 ◽  
Vol 64 (15) ◽  
pp. 153401
Author(s):  
Liang Teng ◽  
Ma Kun ◽  
Chen Xi ◽  
Xie Lu-You ◽  
Dong Chen-Zhong ◽  
...  
Keyword(s):  
Electron Capture ◽  
Radiative Decay ◽  
Theoretical Study

scholarly journals Theoretical study on radiative recombination and subsequent radiative decay of H-like uranium ions

2009 ◽  
Vol 58 (4) ◽  
pp. 2358
Author(s):  
Wang Yong-Jun ◽  
Ding Xiao-Bin ◽  
Dong Chen-Zhong ◽  
Ma Xin-Wen ◽  
Wan Jian-Jie ◽  
...  
Keyword(s):  
Radiative Recombination ◽  
Radiative Decay ◽  
Theoretical Study ◽  
Uranium Ions

Theoretical Studies on Phosphorescent Materials: The Conjugation-Extended PtII Complexes

2014 ◽  
Vol 67 (10) ◽  
pp. 1522 ◽  
Author(s):  
Ai-Hua Liang ◽  
Fu-Quan Bai ◽  
Jian Wang ◽  
Jian-Bo Ma ◽  
Hong-Xing Zhang
Keyword(s):  
Charge Transfer ◽  
Decay Rate ◽  
Excited States ◽  
Rate Constants ◽  
Radiative Decay ◽  
Theoretical Study ◽  
Radiative Decay Rate ◽  
Ligand Charge Transfer ◽  
Emission Transition ◽  
Transfer Properties

A theoretical study on the PtII complex A based on a dimesitylboron (BMes2)-functionalized [Pt(C^N)(acac)] (C^N = 2-phenyl-pyridyl, acac = acetylaceton) complex, as well as three conjugation-extended analogues of the methylimidazole (C*) ligand BMes2-[Pt(C^C*)(acac)] complexes B–D is performed. Their theoretical geometries, electronic structures, emission properties, and the radiative decay rate constants (kr) were also investigated. The energy differences between the two highest occupied orbitals with dominant Pt d-orbital components (Δddocc) of D both at the ground and excited states are the smallest of all. Compared with B, the charge transfer in D possesses a marked trend towards the extended conjugated group, while C changed inconspicuously. The lowest-lying absorptions and the phosphorescence of them can be described as a mixed metal-to-ligand charge transfer (MLCT)/intra-ligand π→π* charge transfer (ILCT) and 3MLCT/3ILCT, respectively. The variation of charge transfer properties induced by extended conjugation and the radiative decay rate constants (kr) calculated revealed that D is a more efficient blue phosphorescence material with a 497 nm emission transition.

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