Contemplation on Alizarin Blue - A DFT Treatment
Journal Title: Earthline Journal of Chemical Sciences - Year 2019, Vol 1, Issue 2
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.
Authors and Affiliations
Lemi Türker
Contemplation on Alizarin Blue - A DFT Treatment
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...
Epoxides of DADNE Isomers - A DFT Study
Diaminodinitroethylene (DADNE) has three constitutional isomers; cis, trans and geminal. In the present study, epoxides of these isomers are considered within the restrictions of density functional theory at the level of...
Analysis of Heavy Metal in Water used for Irrigation, Soil and Some Vegetables grown around Tin Mine Areas of Heipang District, Barkin-Ladi Local Government of Plateau State
Vegetables growing in mining areas have become a serious food safety concern because of the high levels of heavy metals always associated with mining. In this study, water used for irrigation, soil, cabbage, green pepper...
Some DADNE Embedded Push-Pull Type Structures - A DFT Study
In the present study, some diaminodinitroethylene, (geminal (FOX-7) and cis-DADNE) embedded isomeric structures (C4H2N4O6) are considered. They are consisted of a five or a six-membered ring having DADNE moiety (linked a...
Comparative Amino Acid Compositions of Curculigo pilosa Root and Citrullus colocynthis Fruit Bark
The study evaluated comparative amino acids compositions of Curculigo pilosa roots and Citrullus colocynthis fruit bark. The amino acids compositions were determined using amino acid analyzer. The results of amino acid c...