کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1339744 | 979714 | 2007 | 9 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Oxorhenium(V) complexes with quinoline-2-carboxylate ligand. X-ray structure of [ReOCl2(quin-2-c)(PPh3)] and [ReOBr2(quin-2-c)(AsPh3)] complexes: DFT and TD-DFT calculations for [ReOCl2(quin-2-c)(PPh3)] Oxorhenium(V) complexes with quinoline-2-carboxylate ligand. X-ray structure of [ReOCl2(quin-2-c)(PPh3)] and [ReOBr2(quin-2-c)(AsPh3)] complexes: DFT and TD-DFT calculations for [ReOCl2(quin-2-c)(PPh3)]](/preview/png/1339744.png)
Novel [ReOX2(quin-2-c)(EPh3)] complexes (X = Cl, Br; E = As, P; quin-2-c = quinoline-2-carboxylate ion) have been prepared by treatment of [ReOX3(EPh3)2] with quinoline-2-carboxylic acid in acetone at room temperature. All the complexes were characterised by IR, UV–Vis spectroscopy and elemental analysis. The crystal and molecular structures have been determined for [ReOCl2(qiun-2c)(PPh3)] (1) and [ReOBr2(qiun-2c)(AsPh3)] (4). 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.
Novel [ReOX2(quin-2-c)(EPh3)] complexes (X = Cl, Br; E = As, P; quin-2-c = quinoline-2-carboxylate ion) have been prepared by treatment of [ReOX3(EPh3)2] with quinoline-2-carboxylic acid in acetone at room temperature. All the complexes were characterised by IR, UV–Vis spectroscopy and elemental analysis. The crystal and molecular structures have been determined for [ReOCl2(qiun-2c)(PPh3)] (1) and [ReOBr2(qiun-2c)(AsPh3)] (4). 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.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 26, Issue 14, 31 August 2007, Pages 3686–3694