کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9770250 | 1501943 | 2005 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The reactivity of [ReBr3(MeCN)(dppe)] towards gaseous nitric oxide. The X-ray structure of [ReBr3(MeCN)(dppe)] and [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 and DFT calculations for [ReBr3(NO)(dppe)] and [ReOBr3(dppe)]
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: The reactivity of [ReBr3(MeCN)(dppe)] towards gaseous nitric oxide. The X-ray structure of [ReBr3(MeCN)(dppe)] and [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 and DFT calculations for [ReBr3(NO)(dppe)] and [ReOBr3(dppe)] The reactivity of [ReBr3(MeCN)(dppe)] towards gaseous nitric oxide. The X-ray structure of [ReBr3(MeCN)(dppe)] and [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 and DFT calculations for [ReBr3(NO)(dppe)] and [ReOBr3(dppe)]](/preview/png/9770250.png)
چکیده انگلیسی
The [ReOBr3(dppe)] (dppe=bis(diphenylophosphino)ethane) complex reacts with acetonitrile in the presence of excess of triphenylphpsphine to give a new monomeric nitrile rhenium(III) complex-[ReBr3(MeCN)(dppe)] (1). The reaction of 1 with gaseous nitric oxide leads to the mixed [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 complex (2) with rhenium atoms on +2 and +5 oxidation states. This paper presents the synthesis, spectroscopic characterisation and X-ray structure of 1 and 2. The geometries of [ReBr3(NO)(dppe)] and [ReOBr3(dppe)] have been optimized using the density functional theory (DFT) and the electronic transitions of [ReBr3(NO)(dppe)] and [ReOBr3(dppe)] have been calculated with the time-dependent DFT method (TDDFT). The UV-vis spectrum of 2 has been interpreted on the basis of the experimental data for [ReOBr3(dppe)] and the calculated transitions for [ReOBr3(dppe)] and [Re(NO)Br3(dppe)].
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 740, Issues 1â3, 25 April 2005, Pages 107-117
Journal: Journal of Molecular Structure - Volume 740, Issues 1â3, 25 April 2005, Pages 107-117
نویسندگان
B. Machura, R. Kruszynski, M. Jaworska,