Electronic structure and absorption spectra of products from single-electron reduction of derivatives of 4,4?-dipyridyl

1988 ◽  
Vol 23 (6) ◽  
pp. 699-704 ◽  
Author(s):  
I. P. Krainov ◽  
O. M. Tsyguleva ◽  
S. F. Kramarenko
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Single Electron ◽  
Electron Reduction ◽  
Derivatives Of

Theoretical study on the electronic structure and the absorption spectra of complexes of C60 and C59N with π-extended derivatives of tetrathiafulvalene

2011 ◽  
Vol 965 (1) ◽  
pp. 168-175 ◽  
Author(s):  
Ioannis D. Petsalakis ◽  
Demeter Tzeli ◽  
Ioannis S.K. Kerkines ◽  
Giannoula Theodorakopoulos
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Theoretical Study ◽  
Derivatives Of

scholarly journals Structure and electronic absorption spectra of cyanine dyes – derivatives of tetrazolo- and triazoloisoindole

2017 ◽  
Vol 5 (2) ◽  
pp. 95-102
Author(s):  
Tatyana Yegorova ◽  
Andriy Kysil ◽  
Igor Levkov ◽  
Andrei Ilchenko ◽  
Zoia Voitenko
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Cyanine Dyes ◽  
End Groups ◽  
Electron Donation ◽  
Derivatives Of

The electronic structure and absorption spectra of cyanine dyes – tetrazoloisoindole derivatives and triazoloisoindole were calculated. It was shown that these dyes, in terms of their electronic structure, are trimethine cyanine, although formally they are monomethine cyanine. The electron donation of the tetrazoloisoindole and triazoloisoindole residues was determined on the Ilchenko scale, which allows them to quantitatively quantify their Bruker basicity in comparison with the most known heterocyclic end groups of cyanine dyes.

Studies on the electronic structure of thiolate-bridged diiron complexes and their single-electron reduction reactions

2016 ◽  
Vol 660 ◽  
pp. 117-122 ◽  
Author(s):  
Si Chen ◽  
Yang Li ◽  
Dawei Yang ◽  
Lun Luo ◽  
Jingping Qu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Single Electron ◽  
Reduction Reactions ◽  
Electron Reduction

ChemInform Abstract: EFFECT OF THE HETERO ATOM ON THE SINGLE-ELECTRON REDUCTION OF α-NITRO DERIVATIVES OF FIVE-MEMBERED HETEROCYCLES

1981 ◽  
Vol 12 (16) ◽  
Author(s):  
YA. P. STRADYN' ◽  
R. A. GAVAR ◽  
L. KH. BAUMANE ◽  
L. M. BAIDER ◽  
B. A. MEDYNYA ◽  
...  
Keyword(s):  
Single Electron ◽  
Nitro Derivatives ◽  
Electron Reduction ◽  
Derivatives Of

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

Effect of NO2 substitution and solvent on UV-visible spectra, redox potentials and electron transfer mechanisms of copper β-nitrotriarylcorroles. Proposed electrogeneration of a Cu(I) oxidation state

2016 ◽  
Vol 20 (07) ◽  
pp. 753-765 ◽  
Author(s):  
Lina Ye ◽  
Zhongping Ou ◽  
Yuanyuan Fang ◽  
Yang Song ◽  
Bihong Li ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
Soret Band ◽  
Redox Potentials ◽  
Nonaqueous Media ◽  
Initial Assignment ◽  
Visible Spectra ◽  
Phenyl Rings ◽  
Uv Visible ◽  
Electron Reduction ◽  
Transfer Mechanisms

Three copper triarylcorroles containing a [Formula: see text]-pyrrole nitro substituent were synthesized and characterized as to their spectral and electrochemical properties in nonaqueous media. The examined compounds are represented as [Formula: see text]-NO2(YPh)3CorCu, where Cor is the trianion of a triphenylcorrole and Y is a Cl, H or CH3 substituent at the para-position of the three meso-phenyl rings of the compound. The data from absorption spectra, electrochemistry and thin-layer spectroelectrochemistry are consistent with an initial assignment of Cu[Formula: see text]-Cor[Formula: see text] in CH2Cl2, DMF and pyridine and electrogeneration of a formal Cu(II) corrole with an unreduced macrocycle, represented as Cu[Formula: see text]-Cor[Formula: see text], after the first one-electron reduction in these solvents. The doubly reduced [Formula: see text]-nitrocorrole has a sharp Soret band at 439 nm and a well-defined Q-band at 611 nm in CH2Cl2. Similar absorption spectra are seen for the three examined doubly reduced nitrocorroles in DMF and pyridine, suggesting formation of a Cu(I) species with an unreduced macrocycle which is represented as Cu[Formula: see text]-Cor[Formula: see text]. Changes in redox potentials and absorption spectra of the nitrocorroles are examined as a function of solvent and substituents on the meso-phenyl rings of the compounds and comparisons are made between spectral and electrochemical data of the newly synthesized corroles and that of structurally related tetraarylcorroles lacking a [Formula: see text]-nitro group.

scholarly journals An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes

2018 ◽  
Vol 47 (18) ◽  
pp. 6351-6360 ◽  
Author(s):  
David J. R. Brook ◽  
Connor Fleming ◽  
Dorothy Chung ◽  
Cardius Richardson ◽  
Servando Ponce ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Spin Crossover ◽  
Large Change ◽  
Single Electron ◽  
Spin Multiplicity ◽  
Magnetic Switch ◽  
Ferromagnetic Exchange ◽  
Spin Delocalization ◽  
Electron Reduction

A single electron reduction of an iron bis(verdazyl) complex results in a large change in spin multiplicity resulting from a combination of spin crossover and exceptionally strong ferromagnetic exchange.

DFT Investigation of Substitution Effects on the Electronic Properties of Perylene Bisimides Derivatives

2014 ◽  
Vol 513-517 ◽  
pp. 347-350
Author(s):  
Bo Wei Chen ◽  
Ye Wei Xu ◽  
Lin Zhang
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Absorption Spectra ◽  
Electronic Structures ◽  
Semiconductor Materials ◽  
Substitution Effects ◽  
Density Functions ◽  
Computational Results ◽  
Good Accordance ◽  
Perylene Bisimides

Perylene Bisimides Derivatives (PBIs) are typical semiconductor materials. The electronic structures of PBIs were successfully investigated by density functions theory (DFT). The computational results were in the good accordance with the experimental UV-vis spectra. Additionally, the electronic structure and the variational UV-vis absorption spectra of PBIs were explained.

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