title: Combined spectral experiment and theoretical calculation to study the interaction of 1,4-dihydroxyanthraquinone for metal ions in solution.
abstract: The interaction between 1,4-dihydroxyanthraquinone (1,4-DHA) and metal ions was studied by UV-Visible and fluorescence spectroscopies in solution. Time-dependent density functional theory calculations confirmed complex structures. The investigation results showed 1,4-DHA can selectively respond some metal ions and can be monitored by UV-Vis, fluorescence spectra and naked-eye. So 1,4-DHA has a potential application in the design of metal ions probe. More, as typical metal ions, Hg(2+) and Er(3+), their reaction abilities for 1,4-DHA were studied in detailed. Experimental results showed they have better response for 1,4-DHA. And theoretical calculation concluded that Er(3+) easily reacts with 1,4-DHA over Hg(2+) attributed to the low reaction energy of Er(3+)-1,4-DHA than Hg(2+)-1,4-DHA.
authors.affiliation: Key Laboratory of Chemical Biology and Molecular Engineering of Ministry of Education, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China.
authors.forename: Caixia
authors.initials: C
authors.lastname: Yin
authors.forename: Jingjing
authors.initials: J
authors.lastname: Zhang
authors.forename: Fangjun
authors.initials: F
authors.lastname: Huo
mesh_terms: D000880:Anthraquinones / Q000737:chemistry*; D004871:Erbium / Q000032:analysis; D006863:Hydrogen-Ion Concentration; D007477:Ions / Q000737:chemistry; D008628:Mercury / Q000032:analysis; D008670:Metals / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D012996:Solutions; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D013997:Time Factors
chemical_list: D000880:Anthraquinones; D007477:Ions; D008670:Metals; D012996:Solutions; D004871:Erbium; C034890:1,4-dihydroxyanthraquinone; D008628:Mercury
keywords: 1,4-DHA; Fluorescent; Metal ions; Naked-eye; Theoretical calculation; UV–Visible