کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1339387 | 979704 | 2008 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Synthesis, spectroscopic characterization, crystal and molecular structure of [ReOX2(bopyH)(PPh3)] complexes: DFT calculations for [ReOCl2(bopyH)(PPh3)]
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی معدنی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The reactions of [ReOX3(PPh3)2] (X= Cl, Br) with benzoylpyridine (bopy) have been examined and novel [ReOX2(bopyH)(PPh3)] oxocompounds have been obtained. The complexes were structurally and spectroscopically characterised. In the both structures two-electron reduced form of benzoylpyridine is coordinated to the central ion. The electronic structure of [ReOCl2(bopyH)(PPh3)] has been calculated with the density functional theory (DFT) method, and additional information about binding has been obtained by NBO analysis. The UV-Vis spectrum of the [ReOCl2(bopyH)(PPh3)] has been discussed on the basis of TDDFT calculations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polyhedron - Volume 27, Issue 4, 15 March 2008, Pages 1262-1269
Journal: Polyhedron - Volume 27, Issue 4, 15 March 2008, Pages 1262-1269
نویسندگان
B. Machura, J. MiÅek, R. Kruszynski, J. Kusz, J. MroziÅski,