کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1338623 | 979673 | 2007 | 7 صفحه PDF | دانلود رایگان |
The reaction of the complex Re(CO)5Cl with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-trazine (dppt) has been examined and the Re(CO)3+ rhenium carbonyl – fac-[Re(CO)3(dppt)Cl] – has been obtained. The compound has been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of the tricarbonyl has been calculated with the density functional theory (DFT) method. The spin-allowed singlet–singlet electronic transitions of [Re(CO)3(dppt)Cl] have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of the title compound has been discussed on this basis.
The reaction of the complex Re(CO)5Cl with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-trazine (dppt) has been examined and the Re(CO)3+ rhenium carbonyl – fac-[Re(CO)3(dppt)Cl] – has been obtained. The compound has been studied by IR, UV–Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of the tricarbonyl has been calculated with the density functional theory (DFT) method. The spin-allowed singlet–singlet electronic transitions of [Re(CO)3(dppt)Cl] have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of the title compound has been discussed on this basis.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 26, Issue 8, 21 May 2007, Pages 1590–1596