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
Keywords: Alizarin blue, Alizarin blue R, tautomerism, dye, DFT


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.

How to Cite
Türker, L. (2019). Contemplation on Alizarin Blue - A DFT Treatment. Earthline Journal of Chemical Sciences, 1(2), 89-102.