Electron structure of iron chalcogenide clusters {Fe(3)Q} from AIM and ELF data: effect of hydrogen atoms on interatomic interactions.

The electronic structure of [Fe(3)(micro(3)-Q)(CO)(9)](2-) and [(micro-H)(2)Fe(3)(micro(3)-Q)(CO)(9)] (Q = S, Se, and Te) complexes is studied with topological methods AIM and ELF. Fe-Fe bonds in [(micro-H)(2)Fe(3)(micro(3)-Q)(CO)(9)] complexes are shown to break down in the presence of H atoms.