GASEOUS MERCURY(IV) FLUORIDE, HGF4 - AN AB-INITIO STUDY

HgF4 is more stable than the well-known KrF2, according to high-level ab initio calculations. Decomposition of the square-planar species int o HgF2(g) and F2(g) probably is a slightly endothermic process (by abo ut 10-15 KJ (mol-1), and oxidation of HgF2(g) by KrF2(g) is substantia lly exothermic (by about 90 kJ mol-1). Variants of the latter reaction , carried out in solution and at low temperatures, might lead to HgF4; the calculated vibrational frequencies should aid the experimental ch aracterization.