Electronic Structure of Mono- and Bis(carbonyliron) as well as Bis(cyclopentadienyliron) Complexes of 1,4-Dihydro-1,4-diboranaphthalene

✍ Scribed by Gleiter, Rolf ;Hyla-Kryspin, Isabella ;Siebert, Walter

• Publisher: Wiley (John Wiley & Sons)
• Year: 1994
• Tongue: English
• Weight: 478 KB
• Volume: 127
• Category: Article
• ISSN: 0009-2940
• DOI: 10.1002/cber.19941270902

✦ Synopsis

Abstract

The structure and bonding of four iron complexes involving the 1,4‐dihydro‐1,4‐diboranaphthalene ligand C~8~B~2~H~8~ (1), namely of the complexes (CO)~3~Fe(η~6~‐C~8~B~2~H~8~) (2), (μ, η^4^,η^6^‐C~8~B~2~H~8~)[Fe(CO)~3~]~2~ (3), (CO)~3~Fe(μ,η^4^,η^6^‐C~8~B~2~H~8~)Fe(CO)~2~ (4), and of the triple‐decker (μ,η^6^‐C~8~B~2~H~8~)[Fe(η^5^‐C~5~H~5~)]~2~ (5), have been investigated by means of the perturbational molecular orbital theory on the basis of the Extended Hückel calculations. Compounds 2 and 3 are 18‐VE complexes, whereas 5 is a 30‐VE species. The structure of 4 can be best described in terms of a 16‐VE complex “Fe(CO)~3~ heterocycle” and a 18‐VE “Fe(CO)~2~ carbocycle” unit with its iron centers being not directly bond.