Synthesis and crystal structures of (pyH)2[Mo2O4F6] and (pipH2)[Mo2O4F6]; vibrational band assignment for [Mo2O4F6]2- anion

被引：3

作者：

Veryasov, Gleb ^{[1
]}

Morozov, Dmitry ^{[2
]}

Goreshnik, Evgeny ^{[1
]}

Jesih, Adolf ^{[1
]}

机构：

[1] Jozef Stefan Inst, Dept Inorgan Chem & Technol, SI-1000 Ljubljana, Slovenia

[2] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia

来源：

JOURNAL OF FLUORINE CHEMISTRY | 2013年 / 156卷

关键词：

Molybdenum coordination compounds; Oxyfluorides; DFT calculations; Raman spectroscopy; X-ray diffraction; ORIENTATIONAL DISORDER; RAMAN-SPECTRA; HYDROGEN-BOND; INFRA-RED; MOLYBDENUM; PYRIDINE; CHAINS;

D O I：

10.1016/j.jfluchem.2013.10.012

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The two closely related compounds (pyH)(2)[Mo2O4F6] and (pipH(2))[Mo2O4F6], (Py = Pyridine, pip = piperazine), were synthesized by the reaction of MoBr3Py3 and [Mo(CO)(5)](2)pip 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 (pipH(2))[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. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：240 / 245

页数：6

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