کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1339685 | 979712 | 2009 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of [Re(CO)3L2Cl] (L = 1,2,4-triazolo-[1,5-a]pyrimidine) Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of [Re(CO)3L2Cl] (L = 1,2,4-triazolo-[1,5-a]pyrimidine)](/preview/png/1339685.png)
The paper presents a combined experimental and computational study of novel tricarbonyl complex – fac-[Re(CO)3(tp)2Cl] (tp = 1,2,4-triazolo-[1,5-a]pyrimidine). The compound has been characterized spectroscopically and structurally (by single-crystal X-ray diffraction). The absorption and emission spectra of the complex have been discussed on the basis of DFT and time-dependent (TD)DFT calculations.
The paper presents a combined experimental and computational study of novel tricarbonyl complex – fac-[Re(CO)3(tp)2Cl] (tp = 1,2,4-triazolo-[1,5-a]pyrimidine). The compound has been characterised spectroscopically and structurally (by single-crystal X-ray diffraction). The absorption and emission spectra of the complex have been discussed on the basis of DFT and time-dependent (TD)DFT calculations.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 28, Issue 13, 2 September 2009, Pages 2571–2578