Abstract
Extended Hückel calculations on the model complexes (C 6H 6) 2Cr,(C 6H 6)CrP 6, (C 5H 5) 2Cr 2−, (C 5H 5)CrP 5 2−, (C 5H 5) 2Fe and (C 5H 5)FeP 5 showed that the complexes containing P 5 and P 6 ring systems may show stabilities comparable to, or even stronger than, their carbon analogues, despite large differences between the free cyclic fragments. Although the HOMO-LUMO energy gaps in both P and C complexes are often similar, the pattern of MO interactions differ significantly for P and C rings and there is less distinct MO binding in P complexes.
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