Dependence of Absorption and Emission Spectra on Polymorphs of Gold(I) Isocyanide Complexes: Theoretical Study with QM/MM Approach

2019 ◽  
Vol 123 (8) ◽  
pp. 4773-4794 ◽  
Author(s):  
Shinji Aono ◽  
Tomohiro Seki ◽  
Hajime Ito ◽  
Shigeyoshi Sakaki
Keyword(s):  
Theoretical Study ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra

Theoretical study of CF3: Absorption and emission spectra

1992 ◽  
Vol 96 (5) ◽  
pp. 3732-3738 ◽  
Author(s):  
C. Larrieu ◽  
M. Chaillet ◽  
A. Dargelos
Keyword(s):  
Theoretical Study ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra

A theoretical study on the electronic structures and photophysical properties of phosphorescent Iridium(iii) complexes with –CH3/H and t-Bu substituents

2016 ◽  
Vol 45 (31) ◽  
pp. 12587-12593 ◽  
Author(s):  
Yanling Si ◽  
Nan Qu ◽  
Liying Cui ◽  
Bo Gao ◽  
Zhijian Wu
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Absorption And Emission ◽  
Absorption And Emission Spectra ◽  
Shed Light

We present the electronic structures, absorption and emission spectra of a series of Ir(iii) complexes to shed light on the effect of different substituents on the photophysical properties.

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