Electronic structure and properties of group 6 element oxyhalides

Electronic structure of group 6 element compounds of the composition MOCl4 ( M = Mo, W, Sg) is calculated and their thermodynamic stability is examined. The calculations have been demonstrated that regularity of metal-ligand bond strength variation along the group depends on type of ligand. While the M=O bond strengthens, the M-Cl bond becomes weaker when passing from W-Cl to Sg-Cl. This should result in thermal decomposition of SgOCl4 and formation of SgOCl3 which has a lower volatility. 6 refs., 1 fig., 2 tabs