Synthesis, characterization and crystal structure determination of zinc (II) and mercury (II) complexes with 2,2′-dimethyl-4,4′-bithiazole

被引：53

作者：

Khavasi, Hamid Reza ^{[1
]}

Abedi, Anita ^{[2
]}

Amani, Vahid ^{[3
]}

Notash, Behrouz ^{[1
]}

Safari, Nasser ^{[1
]}

机构：

[1] Shahid Beheshti Univ Med Sci, Dept Chem, Tehran 1983963113, Iran

[2] Islamic Azad Univ, N Tehran Branch, Dept Chem, Tehran, Iran

[3] Res Inst Educ, Tehran, Iran

来源：

POLYHEDRON | 2008年 / 27卷 / 07期

关键词：

zinc; mercury; 2,2 '-dimethyl-4,4 '-bithiazole; crystal structure; ab initio methods;

D O I：

10.1016/j.poly.2008.02.029

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The 2,2'-dimethyl-4,4'-bithiazole ligand (1), (dm4bt), and its Zn and Hg complexes have been prepared. A conformational property calculation at the DFT level for the ligand shows the anti conformation is energetically more stable by about 22.83 kJ/mol and the rotational barrier is about 32.01 kJ/mol for. the anti --> syn conversion, a phenomena happening during complex formation. The complexes [Zn(dm4bt)Cl-2] (2) and [Hg(dm4bt)Cl-2](3) have spectral properties typical for d(10) metal diimine systems. The structures of the ligand and the two complexes have been determined by the single crystal diffraction method. The X-ray structure determinations show that both complexes are four coordinated by two chloride atoms and one bidentate. dm4bt. In the Hg complex one of the two chlorides is set at a semi-bridging position. (C) 2008 Published by Elsevier Ltd.

引用

页码：1848 / 1854

页数：7

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