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.

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

Near-IR Absorption Spectra for the Buckminsterfullerene Anions: An Experimental and Theoretical Study

1992 ◽  
Author(s):  
Del R. Lawson ◽  
Daniel L. Feldheim ◽  
Colby A. Foss ◽  
Peter K. Dorhoug ◽  
C. M. Elliott
Keyword(s):  
Absorption Spectra ◽  
Theoretical Study ◽  
Ir Absorption ◽  
Near Ir ◽  
Ir Absorption Spectra
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