ChemInform Abstract: ELECTRONIC STRUCTURE AND PHOTOPHYSICAL PROPERTIES OF QUINOLINIC ANHYDRIDE, QUINOLINIC THIOANHYDRIDE, AND N-METHYLQUINOLINIMIDE

1979 ◽  
Vol 10 (8) ◽  
Author(s):  
A. BIGOTTO ◽  
V. GALASSO ◽  
F. P. COLONNA ◽  
G. DISTEFANO ◽  
G. C. PAPPALARDO ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties

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)...

Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes

2018 ◽  
Vol 6 (32) ◽  
pp. 8688-8708 ◽  
Author(s):  
Ewelina Witkowska ◽  
Gabriela Wiosna-Salyga ◽  
Ireneusz Glowacki ◽  
Bartosz Orwat ◽  
Myong-joon Oh ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties ◽  
Ancillary Ligand ◽  
Fluorine Substitution

The influence and emissive properties of N,O-donating ligands with fluorinatedN-aryl moieties on the electronic structure of complexes of the formula [Ir(bzq)2(O∧N)] are reported.

Theoretical investigation of the electronic structure and photophysical properties of a series of Ir(iii) complexes bearing pentafluorosulfanyl groups

2019 ◽  
Vol 43 (25) ◽  
pp. 9916-9923 ◽  
Author(s):  
Jing Gao ◽  
Xin Li ◽  
Deming Han ◽  
Jiawei Li ◽  
Xiaohong Shang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Time Dependent ◽  
Functional Theory ◽  
Ancillary Ligands ◽  
Dependent Density

The electronic structure, absorption and emission spectra, charge injection/transport ability and phosphorescence quantum efficiency of a series of cyclometalated iridium(iii) complexes with different ancillary ligands are studied using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods.

Synthesis, electronic structure, linear and nonlinear photophysical properties of novel asymmetric branched compounds

2020 ◽  
Vol 175 ◽  
pp. 108115
Author(s):  
Zhi-Bin Cai ◽  
Li-Jun Chen ◽  
Sheng-Li Li ◽  
Qing Ye ◽  
Yu-Peng Tian
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties ◽  
Linear And Nonlinear

Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs

2015 ◽  
Vol 54 (16) ◽  
pp. 7915-7928 ◽  
Author(s):  
Yuriy V. Zatsikha ◽  
Eranda Maligaspe ◽  
Anatolii A. Purchel ◽  
Natalia O. Didukh ◽  
Yefeng Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties

Photophysical properties and electronic structure of retinylidene–chlorin–chalcones and analogues

2014 ◽  
Vol 13 (4) ◽  
pp. 634 ◽  
Author(s):  
Joseph W. Springer ◽  
Masahiko Taniguchi ◽  
Michael Krayer ◽  
Christian Ruzié ◽  
James R. Diers ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photophysical Properties

Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores

2005 ◽  
Vol 122 (22) ◽  
pp. 224505 ◽  
Author(s):  
Artëm Masunov ◽  
Sergei Tretiak ◽  
Janice W. Hong ◽  
Bin Liu ◽  
Guillermo C. Bazan
Keyword(s):  
Electronic Structure ◽  
Theoretical Study ◽  
Photophysical Properties ◽  
Solvent Environment
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