Title
Azo-Group Dihedral Angle Torsion Dependence On Temperature: A Theorerical-Experimental Study
Abstract
Quantum chemical calculations were carried out to explain the observed shifts in the absorption spectrum of different azo-aromatic compounds due to changes in the dihedral angle of the azo-group. Our results reveal that the π-π* transition presents a hypsochromic shift and an oscillator strength drop upon increase of the dihedral angle. Nevertheless, the n-π* transition exhibits the opposite behavior. This effect is attributed to the reduction in the π-electron conjugation length of the molecule. Experimentally, we performed temperature dependence measurements of the linear absorption spectrum. Both the theoretical and experimental results demonstrate that small energy changes are mirrored in the electronic transitions of conjugated linear molecules. © 2010 Elsevier B.V. All rights reserved.
Publication Date
3-5-2010
Publication Title
Chemical Physics Letters
Volume
487
Issue
4-6
Number of Pages
226-231
Document Type
Article
Personal Identifier
scopus
DOI Link
https://doi.org/10.1016/j.cplett.2010.01.039
Copyright Status
Unknown
Socpus ID
76449085507 (Scopus)
Source API URL
https://api.elsevier.com/content/abstract/scopus_id/76449085507
STARS Citation
De Boni, Leonardo; Toro, Carlos; Zilio, Sérgio C.; Mendonca, Cleber R.; and Hernandez, Florencio E., "Azo-Group Dihedral Angle Torsion Dependence On Temperature: A Theorerical-Experimental Study" (2010). Scopus Export 2010-2014. 1292.
https://stars.library.ucf.edu/scopus2010/1292