A quantum molecular study on the coordination way in the square-planar complexes of Ni(II), Pd(II) and Pt(II) with a heterocyclic (N, S) ligand

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作者
Sbîrna, LS
Sbîrbn, S
Lepadatu, CI
机构
[1] Univ Craiova, Fac Chem, Craiova 01100, Romania
[2] Aircraft SA Craiova, DCA, Dept Res & Dev, Craiova 01100, Romania
[3] Roumanian Acad, Inst Phys Chem, Bucharest 77208, Romania
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O6 [化学];
学科分类号
0703 ;
摘要
The purpose of this paper is the investigation of the coordination way of a ligand in the dibenzofuran series (namely 3-thio-benzoylamino-dibenzofuran, TBADBF) to Ni(II), Pd(II) and Pt(II) ions based-on spectral analysis. The absorption maxima occurring in the electronic spectra of the free heterocyclic ligand TBADBF and of the [M(TBADBF)Cl-2] square-planar complexes, where M = Ni(II), Pd(II) and Pt(II) have been interpreted using the EHT-MO approach. It has been shown that the electronic transitions in the spectrum of TBADBF are due to an electron transfer involving electron]one pairs of sulfur and oxygen. Some of them are shifted toward higher wavenumbers in the spectra of the complexes as a consequence of the coordination. The band shifts are caused either by the mixing with d-metal orbitals or by the energy lowering of the MO levels caused by the coordination of the donor atoms to the transition metal ions.
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页码:1015 / 1019
页数:5
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