Structure and vibrational properties of oxohalides of vanadium.
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.
Guiot
Vincent
V
Institut des Materiaux Jean Rouxel (IMN), Universite de Nantes, CNRS, 2 rue de la Houssiniere, BP32229, 44322 Nantes, France.
Suarez-Martinez
Irene
I
Wagner
Philipp
P
Goss
Jonathan
J
Briddon
Patrick
P
Allaf
Abdul W
AW
Ewels
Christopher Paul
CP
D003198:Computer Simulation; D006219:Halogens / Q000737:chemistry*; D008956:Models, Chemical; D010100:Oxygen / Q000737:chemistry*; D017968:Vanadium Compounds / Q000737:chemistry*; D014732:Vibration
D006219:Halogens; D017968:Vanadium Compounds; D010100:Oxygen