Electronic structure, spectrum, and intramolecular electron transfer model of [(NH3)5Ru-(4,4’-bipy)-Ru(NH3)5]5+

1997 ◽  
Vol 38 (3) ◽  
pp. 366-374 ◽  
Author(s):  
O. V. Sizova ◽  
A. I. Panin ◽  
N. V. Ivanova ◽  
V. I. Baranovskii
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Transfer Model ◽  
Intramolecular Electron Transfer ◽  
Structure Spectrum

Effect of the functionalized π-bridge on porphyrin sensitizers for dye-sensitized solar cells: an in-depth analysis of electronic structure, spectrum, excitation, and intramolecular electron transfer

2015 ◽  
Vol 3 (39) ◽  
pp. 10129-10139 ◽  
Author(s):  
Xiaoqing Lu ◽  
Yang Shao ◽  
Shuxian Wei ◽  
Zigang Zhao ◽  
Ke Li ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Dye Sensitized Solar Cells ◽  
Intramolecular Electron Transfer ◽  
Dye Sensitized ◽  
Depth Analysis ◽  
Spectrum Excitation ◽  
Structural And Optoelectronic Properties ◽  
Sensitized Solar Cells ◽  
Structure Spectrum

The effects of π-bridge on the structural and optoelectronic properties of porphyrin sensitizers were systematically elucidated.

scholarly journals Diironcarbonyl-coumarin complex: preparation, intramolecular electron transfer, and electro-generation of hydrogen

2012 ◽  
Vol 10 (4) ◽  
pp. 1218-1222 ◽  
Author(s):  
Charles Mebi ◽  
Joshua Trujillo ◽  
Anwar Bhuiyan
Keyword(s):  
Electron Transfer ◽  
Spectral Analysis ◽  
Electronic Structure ◽  
Iron Carbonyl ◽  
Emission Spectral Analysis ◽  
Intramolecular Electron Transfer ◽  
Organometallic Complex ◽  
Spectroscopic Analyses ◽  
Complex Preparation

AbstractA new organometallic complex coupling photoactive coumarin to a diironhexacarbonyl unit has been successfully prepared and its composition and electronic structure confirmed by elemental and spectroscopic analyses. Emission spectral analysis of the complex reveals photoinduced intramolecular electron transfer from coumarin to the iron-carbonyl moiety. The compound is electrochemically reduced at −1.24 V vs. Fc/Fc+. This reduction is irreversible, attesting to the instability of the complex. Electrochemical evolution of hydrogen in the presence of the complex has been studied and results are discussed.

Electronic structure and bridge geometric distortion in push–pull imine-bridged triads. A theoretical study

2021 ◽  
Author(s):  
Arturo Espinosa Ferao ◽  
Antonio García Alcaraz ◽  
Rafaela García López
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Charge Distribution ◽  
Electric Charge ◽  
Theoretical Study ◽  
Geometric Distortion ◽  
Intramolecular Electron Transfer ◽  
Distortion Parameters ◽  
Electric Charge Distribution

Intramolecular electron transfer (IET) in imine-bridged triads is studied by analyzing electric charge distribution and ferrocene and bridge distortion parameters.

NIR Emission and Acid-Induced Intramolecular Electron Transfer Derived from a SOMO–HOMO Converted Non-Aufbau Electronic Structure

2019 ◽  
Vol 123 (7) ◽  
pp. 4417-4423 ◽  
Author(s):  
Akira Tanushi ◽  
Shun Kimura ◽  
Tetsuro Kusamoto ◽  
Moe Tominaga ◽  
Yasutaka Kitagawa ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Electronic Structure ◽  
Intramolecular Electron Transfer ◽  
Nir Emission

Theoretical analysis of the absorption spectrum, electronic structure, excitation, and intramolecular electron transfer of D–A′–π–A porphyrin dyes for dye-sensitized solar cells

2020 ◽  
Vol 22 (26) ◽  
pp. 14846-14856
Author(s):  
Zhijie Xu ◽  
Shaolei Gao ◽  
Xiaoqing Lu ◽  
Yuanyuan Li ◽  
Yameng Li ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Absorption Spectrum ◽  
Electronic Structure ◽  
Dye Sensitized Solar Cells ◽  
Intramolecular Electron Transfer ◽  
Dye Sensitized ◽  
Photoelectric Performance ◽  
Td Dft ◽  
Sensitized Solar Cells ◽  
Shed Light

A serious of porphyrin dyes with D–A′–π–A structure were designed. DFT and TD-DFT calculations were performed to shed light on how the type and position of auxiliary acceptors influence the photoelectric performance of the dyes.

THEORETICAL STUDIES ON THE ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES: PART I. THE INTRAMOLECULAR ELECTRON TRANSFER MODEL

1961 ◽  
Vol 39 (11) ◽  
pp. 2256-2261 ◽  
Author(s):  
J. E. Bloor
Keyword(s):  
Electron Transfer ◽  
Charge Transfer ◽  
Relative Effect ◽  
Transfer Model ◽  
Intramolecular Electron Transfer ◽  
Theoretical Studies ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Aromatic Molecules ◽  
Simple Empirical Model

A simple empirical model, based on molecular orbital theory without configuration interaction, is used to interpret the K band transitions of substituted aromatic molecules as involving intramolecular electron transfer between substituent and hydrocarbon. For electron-donating substituents, such as amino, methoxyl, chloro, bromo, and iodo, the transfer is from substituent to hydrocarbon, while for electron-attracting substituents, such as nitro, formyl, acetyl, and cyano, the charge transfer is from hydrocarbon to substituent. Such a treatment is successful for "long field molecules" (benzene, diphenyl, terphenyl, styrene, and stilbene), but for "round field" molecules agreement between experiment and theory was achieved only for electron-donating substituents. The theory, like less empirical theories, overestimates the relative effect of a substituent in the 2-position compared with substitution in the 1-position.

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