Effect of Substituents on Electronic Structure and Photophysical Properties of Re(I)(CO)&lt;sub&gt;3&lt;/sub&gt;Cl(R-2, 2’-Bipyridine) Complex: DFT/TDDFT Study

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)...

Download Full-text

Electronic Structure and Photophysical Properties of Planar Conjugated Hydrocarbons with 4n-Membered Rings. I. Photoelectron Spectra of 1,5,9-Tridehydro[12]-annulene and Related Compounds

Helvetica Chimica Acta ◽

10.1002/hlca.19760590525 ◽

1976 ◽

Vol 59 (5) ◽

pp. 1647-1655 ◽

Cited By ~ 16

Author(s):

Jakob Wirz

Keyword(s):

Electronic Structure ◽

Photophysical Properties ◽

Photoelectron Spectra ◽

Conjugated Hydrocarbons ◽

Related Compounds

Download Full-text

Effect of substituents on absorption and fluorescence properties of pyrazolo[3,4-b]pyrrolo[2,3-d]pyridines

Canadian Journal of Chemistry ◽

10.1139/v08-155 ◽

2008 ◽

Vol 86 (11) ◽

pp. 1070-1076 ◽

Cited By ~ 12

Author(s):

Bhausaheb K Ghotekar ◽

Muddassar A Kazi ◽

Madhukar N Jachak ◽

Raghunath B Toche

Keyword(s):

Good Yield ◽

Substituent Effect ◽

Photophysical Properties ◽

Fluorescence Properties ◽

Absorption And Emission ◽

Effect Of Substituents ◽

Convenient Route

A convenient route was successfully developed for the synthesis of novel heterocycles such as pyrazolo[3,4-b]pyrrolo[2,3-d]pyridines (PPP) from pyrazolo[3,4-b]pyridines in good yield. The PPP derivatives synthesized were further studied for their photophysical properties, and it was observed that absorption and emission λmax changed, owing to the substituent effect at 4 positions. These compounds were obtained from highly reactive starting materials, 5-aminopyrazoles and α-acetyl γ-butyrolactone.Key words: α-acetyl γ-butyrolactone, pyrazolo[3,4-b]pyrrolo[2,3-d] pyridine, absorption, emission, fluorescence.

Download Full-text

Synthesis, physical and photophysical properties of Ru(II) pyridyl-pyrimidine and pyridyl-pyrimidinone complexes: effect of substituents on the pyrimidine ring

Inorganica Chimica Acta ◽

10.1016/s0020-1693(99)00321-7 ◽

1999 ◽

Vol 296 (1) ◽

pp. 114-126 ◽

Cited By ~ 9

Author(s):

Wen-Mei Xue ◽

W.J. Perez ◽

D.Paul Rillema

Keyword(s):

Photophysical Properties ◽

Pyrimidine Ring ◽

Effect Of Substituents

Download Full-text

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

Journal of Materials Chemistry C ◽

10.1039/c8tc02890g ◽

2018 ◽

Vol 6 (32) ◽

pp. 8688-8708 ◽

Cited By ~ 6

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.

Download Full-text

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

New Journal of Chemistry ◽

10.1039/c9nj01768b ◽

2019 ◽

Vol 43 (25) ◽

pp. 9916-9923 ◽

Cited By ~ 2

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.

Download Full-text