Synthesis, crystal structure and computational chemistry research of a Zinc(II) complex: [Zn(Pt)(Biim)2]

• Main Authors: Teng Fei, Jiang Nan, Wang Zhonghui, Cui Yuncheng, Wang Jiajun
• Format: Article
• Language: English
• Published: Serbian Chemical Society 2012-01-01
• Series: Journal of the Serbian Chemical Society
• Subjects: 2,2’-biimidazole; phthalic acid; zinc(II) complex; crystal structure; quantum chemistry
• Online Access: http://www.doiserbia.nb.rs/img/doi/0352-5139/2012/0352-51391100184T.pdf

The title metal-organic coordination complex [Zn(pt)(Biim)2] (pt=phthalic acid, benzene-1,2-dicarboxylate, Biim=2,2'-biimidazole) 1 has been obtained by using hydrothermal synthesis and characterized by single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/n with a = 8.5466(15) Å, b = 11.760(2) Å, c = 20.829(4) Å, β = 95.56(2)º, V = 2083.5(6) Å3, Mr =497.78, Dc = 1.587 g/cm3, μ(MoKα) = 1.226 mm−1, F(000) = 1016, Z = 4, the final R = 0.0564 and wR = 0.1851 for 3656 observed reflections (I > 2σ(I)). The elemental analysis, IR, TG and the theoretical calculation were also investigated.