| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 4766235 | Dyes and Pigments | 2017 | 6 Pages |
Abstract
The tautomeric structures of 4-((2-hydroxynaphthalen-1-yl)diazenyl)-3,5-dinitrobenzoic acid have been revised by using quantum chemical (M06-2X/TZVP) calculations showing that the previously suggested structures are incorrect. By using theoretically predicted relative energies and Uv-Vis spectral analysis of a structurally similar compound (1-((2-nitrophenyl)diazenyl)naphthalen-2-ol), it has been estimated that the tautomeric equilibrium is shifted to the keto tautomer, but not completely.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Yana Manolova, Daniela Nedeltcheva, Liudmil Antonov,