V. Delchev, K. Gavazov, I. Shterev
Dec 10, 2014
Citations
1
Influential Citations
3
Citations
Journal
Journal of Molecular Modeling
Abstract
We performed a theoretical and experimental study of the (photo)stability of 3,5-dinitrocatechol (DNC) and its complexes with W(VI) and V(V). The investigation showed that irradiation of DNC is accompanied by a parallel proton migration from the hydroxy group to the neighboring NO2 group, which results in a large Stokes shift of the absorption and emission bands. It was found that W(VI) forms a more stable 1:2 complex than V(V). The complex is stable even under UV irradiation. The most stable WVI(DNC)2 conformer is comprised of two mutually perpendicular DNC molecules as ligands.