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Hetarylazopyrazolone Dyes Based on Benzothiazole and Benzimidazole Ring Systems: Synthesis, Spectroscopic Investigation, and Computational Study
Joint Authors
Source
Issue
Vol. 2017, Issue 2017 (31 Dec. 2017), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2017-04-04
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
In this study, the synthesized coupling component 1-(2-benzothiazolyl)-3-methylpyrazol-5-one reacted with diazotised heterocyclic amines to afford six novel hetarylazopyrazolone dyes.
These azo dyes based on benzothiazole and benzimidazole ring systems were characterized by spectral methods and elemental analyses.
The solvatochromic behaviors of these dyes in various solvents were evaluated.
The ground state geometries of the dyes were optimized using density functional theory (DFT).
Solvent, acid-base, and substituent influences on the wavelength of the maximum absorption were examined in detail.
Time-dependent density functional theory (TD-DFT) calculations were performed to obtain the absorption spectra of the dyes in various solvents and the results compared with experimental values.
Besides, frontier molecular orbitals (FMO) analysis for the dyes is also described from the computational process.
American Psychological Association (APA)
Aktan, Ebru& Uyar, Tahsin. 2017. Hetarylazopyrazolone Dyes Based on Benzothiazole and Benzimidazole Ring Systems: Synthesis, Spectroscopic Investigation, and Computational Study. Journal of Chemistry،Vol. 2017, no. 2017, pp.1-10.
https://search.emarefa.net/detail/BIM-1172504
Modern Language Association (MLA)
Aktan, Ebru& Uyar, Tahsin. Hetarylazopyrazolone Dyes Based on Benzothiazole and Benzimidazole Ring Systems: Synthesis, Spectroscopic Investigation, and Computational Study. Journal of Chemistry No. 2017 (2017), pp.1-10.
https://search.emarefa.net/detail/BIM-1172504
American Medical Association (AMA)
Aktan, Ebru& Uyar, Tahsin. Hetarylazopyrazolone Dyes Based on Benzothiazole and Benzimidazole Ring Systems: Synthesis, Spectroscopic Investigation, and Computational Study. Journal of Chemistry. 2017. Vol. 2017, no. 2017, pp.1-10.
https://search.emarefa.net/detail/BIM-1172504
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1172504