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.
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| http://dx.doi.org/10.1021/jp805941n | DOI Listing |
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