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- Title
Crystal Structure, Fluorescence Property and Theoretical Calculation of the Zn(II) Complex with o-Aminobenzoic Acid and 1,10-Phenanthroline.
- Authors
Zhongyu Zhang; Caifeng Bi; Yuhua Fan; Xia Zhang; Nan Zhang; Xingchen Yan; Jian Zuo
- Abstract
A novel complex [Zn(phen)(o-AB)2] [phen: 1,10-phenanthroline o-AB: o-aminobenzoic acid] was synthesized and characterized by elemental analysis and X-ray diffraction single-crystal analysis. The crystal crystallizes in monoclinic, space group P2(1)/c with a = 7.6397(6) Å, b = 16.8761(18) Å, c = 17.7713(19) Å, α = 90°, β = 98.9570(10)°, γ = 90°, V = 2.2633(4) nm3, Z = 4, F(000) = 1064, S = 1.058, Dc = 1.520 g·cm-3, R1 = 0.0412, wR2 = 0.0948, μ = 1.128 mm-1. The Zn(II) is six coordinated by two nitrogen and four oxygen atoms from the 1,10-phenanthroline and o-aminobenzoic acid to furnish a distorted octahedron geometry. The complex exhibits intense fluorescence at room temperature. Theoretical studies of the title complex were carried out by density functional theory (DFT) B3LYP method. CCDC: 898291.
- Subjects
ZINC compounds; CRYSTAL structure; FLUORESCENCE; QUANTUM chemistry; SPACE groups
- Publication
Bulletin of the Korean Chemical Society, 2014, Vol 35, Issue 6, p1697
- ISSN
0253-2964
- Publication type
Article
- DOI
10.5012/bkcs.2014.35.6.1697