Theoretical investigation on the electronic structures and photophysical properties of a series of iridium(III) complexes based on amidate ancillary ligand

Optik ◽  
2016 ◽  
Vol 127 (6) ◽  
pp. 3230-3234
Author(s):  
Deming Han ◽  
Xiaofeng Zhang ◽  
Guozhong Xu ◽  
Jingmei Li ◽  
Lihui Zhao ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Electronic Structures ◽  
Photophysical Properties ◽  
Ancillary Ligand

Theoretical investigation of photophysical properties for a series of iridium(iii) complexes with different substituted 2,5-diphenyl-1,3,4-oxadiazole

2016 ◽  
Vol 40 (2) ◽  
pp. 1111-1117 ◽  
Author(s):  
Xiaohong Shang ◽  
Yanan Li ◽  
Qing Zhan ◽  
Gang Zhang
Keyword(s):  
Charge Transport ◽  
Electronic Properties ◽  
Theoretical Investigation ◽  
Quantum Chemical ◽  
Photophysical Properties ◽  
Transport Parameter ◽  
Iridium Complexes ◽  
Ancillary Ligand ◽  
Quantum Chemical Investigation ◽  
Structural And Electronic Properties

A quantum chemical investigation from structural and electronic properties and some charge-transport parameter viewpoints was performed on several homoleptic iridium complexes [(C∧N)2Ir(pic)] with the 2,5-diaryl-1,3,4-oxadia-zoles moiety in C∧N ligands, where pic represents the picolinate ancillary ligand.

Photophysical Properties of N-Methyl and N-Acetyl Substituted Alloxazine: A Theoretical Investigation

2021 ◽  
Author(s):  
Huimin Guo ◽  
Xiaolin Ma ◽  
Zhiwen Lei ◽  
Yang Qiu ◽  
Bernhard Dick ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Time Dependent ◽  
Functional Theory ◽  
Td Dft ◽  
Dependent Density

The electronic structure and photophysical properties of a series of N-Methyl and N-Acetyl substituted alloxazine (AZs) were investigated with extensive density functional theory (DFT) and time-dependent density functional theory (TD-DFT)...

scholarly journals Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of Rh2CrGe Full-Heusler Alloy

2019 ◽  
Vol 136 (3) ◽  
pp. 454-459
Author(s):  
M. Mebrek ◽  
A. Mokaddem ◽  
F. Bouasria ◽  
B. Doumi ◽  
A. Mir ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Theoretical Investigation ◽  
Electronic Structures ◽  
Heusler Alloy ◽  
Full Heusler
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