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MoF3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Mo3+ is bonded to six equivalent F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Mo–F bond lengths are 2.11 Å. F1- is bonded in a bent 150 degrees geometry to two equivalent Mo3+ atoms.
MgMoF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to seven F1- atoms. There are a spread of Mg–F bond distances ranging from 1.93–2.63 Å. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Mo–F bond distances ranging from 2.08–2.14 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Mg2+ and two equivalent Mo3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mo3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Mg2+ and one Mo3+ atom.
MgMoF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 1.92–2.55 Å. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Mo–F bond distances ranging from 2.06–2.13 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Mo3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mo3+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Mo3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Mo3+ atoms.
MoZnF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mo3+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are five shorter (2.10 Å) and one longer (2.11 Å) Mo–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.93–2.54 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mo3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Mo3+ and two equivalent Zn2+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mo3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Mo3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mo3+ atoms.
MoF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MoF5 ribbons oriented in the (0, 0, 1) direction. Mo5+ is bonded to six F1- atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of Mo–F bond distances ranging from 1.87–2.06 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Mo5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Mo5+ atoms.
Conclusions • Successfully halted the UF6 hydrolysis reaction and trapped intermediate complexes • Simple alcohol instead of water leads to shifting of bands in UF6 likely from change in matrix effects • MoF6 reaction shows some potential for methyl group being present in structure of intermediates • Future work with bulkier R-groups will hopefully reveal further information as to the reaction pathway and intermediate structure via kinetics and peak shifting