Comparative Studies on Tetrakis(mi0-1,3-benzothiazole-2-thiol-N,S)-dipalladium(II) with and with out Ethanol Solvent Molecule

• Autorzy: Xiao X. L. , Zhang K. J. , Zhao P. S. , Jian F. F.
• Języki publikacji: EN

Abstrakty

EN

The complex of dinuclear palladium(II), [Pd2(C7H4NS2)4]źC2H5OH, has been synthe - sized and characterized by elemental analysis, IR, UV-Vis spectra, X-ray single crystal diffraction and density functional theory (DFT) calculations. The structure of [Pd2(C7H4NS2)4]źC2H5OH consists of binuclear units of composition [Pd2(C7H4NS2)4] and an ethanol solvent molecule. The coordination geometry around Pd is square-planar, with two Pd atoms linked by four bridging 1,3-benzothiazole-2-thiol ligands via their exocyclic S and heterocyclic N atoms. The PdźźźPd distance is 2.738(2) capital A, ring. Density functional theory (DFT) calculations of the structure, total energy and electronic configu - ration have been carried out for the compound [Pd2(C7H4NS2)4]źC2H5OH and the com - pound [Pd2(C7H4NS2)4]. The calculated results indicate that the presence of sol vent C2H5OH has little influence on the molecule structure of [Pd2(C7H4NS2)4]. The solvent C2H5OH molecule changes the electronic configuration of the [Pd2(C7H4NS2)4].

Słowa kluczowe

EN

synthesis; crystal structure; density functional theory; electronic configuration

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2009
• Tom: Vol. 83, nr 11
• Strony: 1929--1936
• Opis fizyczny: Bibliogr. 26 poz., rys.

Twórcy

autor

Xiao X. L.

autor

Zhang K. J.

autor

Zhao P. S.

autor

Jian F. F.

• College of Materials Science and Engineering, Qingdao University of Science and Technology, Qingdao, Shandong 266042, P. R. China,

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