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Title: | Experimental and theoretical insight into the electronic properties of 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes |
Authors: | Vitnik, Vesna D. Vitnik, Željko J. Božić, Bojan Valentić, Nataša V. Dilber, Sanda P. Mijin, Dušan Ušćumlić, Gordana S. |
Issue Date: | 1-Jun-2017 |
Rank: | M21 |
Journal: | Coloration Technology |
Volume: | 133 |
Issue: | 3 |
Start page: | 223 |
End page: | 233 |
Abstract: | In this paper, spectroscopic and quantum mechanical investigation of nine 4-aryl-5-arylazo-3-cyano-6-hydroxy-2-pyridone dyes was performed, and obtained density functional theory (DFT) results were compared with experimental data. The structural and spectroscopic properties of azo-2-pyridone dyes were studied by DFT using B3LYP, CAM-B3LYP, and M06-2X methods with a 6-311++G(d,p) basis set. Compari... |
URI: | https://biore.bio.bg.ac.rs/handle/123456789/822 |
ISSN: | 1472-3581 |
DOI: | 10.1111/cote.12271 |
Appears in Collections: | Journal Article |
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