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Oxorhenium complexes with the 8-quinolinolato ligand. X-ray structure and DFT calculations for [ReOX2(hqn)(AsPh3)] and [ReOX2(hqn)(PPh3)] complexes
Ist Teil von
Polyhedron, 2007-07, Vol.26 (12), p.2837-2844
Ort / Verlag
Elsevier Ltd
Erscheinungsjahr
2007
Link zum Volltext
Quelle
Elsevier ScienceDirect Journals Complete
Beschreibungen/Notizen
The reactions of [ReOX3(AsPh3)2] and [ReOX3(PPh3)2] with 8-hydroxyquinoline (Hhqn) have been examined and [ReOX2(hqn)(AsPh3)] and [ReOX2(hqn)(PPh3)] (X=Cl, Br) complexes have been obtained, respectively. The crystal and molecular structures of [ReOCl2(hqn)(AsPh3)] (1) and [ReOBr2(hqn)(PPh3)] (4) have been determined. The electronic structure of 1 has been calculated with the density functional theory (DFT) method. The spin-allowed electronic transitions of 1 have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of [ReOCl2(hqn)(AsPh3)] has been discussed on this basis.
The reactions of [ReOX3(AsPh3)2] and [ReOX3(PPh3)2] with 8-hydroxyquinoline (Hhqn) have been examined and the complexes [ReOX2(hqn)(AsPh3)] and [ReOX2(hqn)(PPh3)] (X=Cl, Br) have been obtained, respectively. The crystal and molecular structures of [ReOCl2(hqn)(AsPh3)] (1) and [ReOBr2(hqn)(PPh3)] (4) have been determined. The electronic structure of 1 has been calculated with the density functional theory (DFT) method. The spin-allowed electronic transitions of 1 have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of [ReOCl2(hqn)(AsPh3)] has been discussed on this basis.