کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1313872 | 1499344 | 2013 | 6 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Synthesis and crystal structures of (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6]; vibrational band assignment for [Mo2O4F6]2− anion Synthesis and crystal structures of (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6]; vibrational band assignment for [Mo2O4F6]2− anion](/preview/png/1313872.png)
• The synthesis of two novel MOF compounds – (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6] was made.
• Compounds were characterized by X-ray diffraction and Raman spectroscopy.
• Detailed vibrational band assignment for [Mo2O4F6]2− anion was made based on computed spectrum.
The two closely related compounds (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6], (Py = pyridine, pip = piperazine), were synthesized by the reaction of MoBr3Py3 and [Mo(CO)5]2pip with anhydrous HF in a FEP (fluorinated ethylene propylene) reaction vessel. The presence of traces of water resulted in the formation of oxyfluorides. (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6] were characterized by X-ray diffraction and Raman spectroscopy. Geometry of the anion [Mo2O4F6]2− was optimized using DFT/B3LYP with cc-PVDZ basis set and the interpretation of the measured Raman spectra was offered based on normal modes of calculated spectrum.
The compounds (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6], (Py = pyridine, pip = piperazine), were synthesized by the reaction of MoBr3Py3 and [Mo(CO)5]pip with anhydrous HF in a FEP reaction vessel. The compounds were characterized by X-ray diffraction and Raman spectroscopy; band assignment for the anion [Mo2O4F6]2− was made basing on DFT/B3LYP/cc-PVDZ calculations.Figure optionsDownload as PowerPoint slide
Journal: Journal of Fluorine Chemistry - Volume 156, December 2013, Pages 240–245