Contemplation on Alizarin Blue - A DFT Treatment

  • Lemi Türker Department of Chemistry, Middle East Technical University, Üniversiteler, Eskişehir Yolu No: 1, 06800 Çankaya/Ankara, Turkey
DOI: https://doi.org/10.34198/ejcs.1219.89102
Keywords: Alizarin blue, Alizarin blue R, tautomerism, dye, DFT

Abstract

Primarily Alizarin blue is an important acid-base indicator, exhibiting color change at different pH values in the acid and also base ranges. It is also used as microbiological staining agent. It is in theory capable of forming various tautomers and zwitterions. In the present study, within restrictions of density functional theory at the level of B3LYP/6-31G(d), some tautomeric and zwitterionic forms of it have been investigated. Some physicochemical, structural properties as well as stabilities, energies, IR and UV-VIS spectra are considered.

Published
2019-03-01
How to Cite
Türker, L. (2019). Contemplation on Alizarin Blue - A DFT Treatment. Earthline Journal of Chemical Sciences, 1(2), 89-102. https://doi.org/10.34198/ejcs.1219.89102
Issue
Vol 1 No 2 (2019)
Section
Articles


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