Structure and vibrational properties of oxohalides of vanadium

We study the structure and vibrational modes of a wide range of oxohalides of vanadium (VOX_nY_m, X,Y=F, Cl, Br, I, n,m=0–3, (n+m)≤3). The results agree well with experiment for VOCl₃ and VOF₃, and suggest reassignment of the experimentally observed VOF to VOF₂. We provide new assignments for various experimental modes, identifying several intermediates (VOBr₂, VOBr) and mixed structures (e.g. VOCl₂Br), and discuss formation trends and stabilities.