کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1313872 1499344 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Synthesis and crystal structures of (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6]; vibrational band assignment for [Mo2O4F6]2− anion
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Synthesis and crystal structures of (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6]; vibrational band assignment for [Mo2O4F6]2− anion
چکیده انگلیسی


• 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

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Fluorine Chemistry - Volume 156, December 2013, Pages 240–245
نویسندگان
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