We study the structure and vibrational modes of a wide range of oxohalides of vanadium (VOX(n)Y(m); X, Y = F, Cl, Br, I; n, m = 0-3, n + m < or = 3). The results agree well with experimental results for VOCl(3) and VOF(3) and suggest reassignment of the experimentally observed VOF to VOF(2). We provide new assignments for various experimental modes, identifying several intermediates (VOBr(2), VOBr) and mixed structures (e.g., VOCl(2)Br), and discuss formation trends and stabilities.
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| http://dx.doi.org/10.1021/ic8022562 | DOI Listing |
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