Crystal Structure, Fluorescence Property and Theoretical Calculation of the Zn(II) Complex with o-Aminobenzoic Acid and 1,10-Phenanthroline

Bulletin of the Korean chemical society

Caifeng Bi¹  Zhongyu Zhang¹  Xia Zhang¹  Yuhua Fan¹  Xingchen Yan¹  Jian Zuo¹  Nan Zhang¹ 

关键词: Zn(II) complex;    Crystal structure;    Fluorescence;    Quantum chemistry calculation;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

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.

【 授权许可】

Unknown