NASA NTRS · 19990062590
On the Bonding in Fe2(CO)9
Abstract
The bonding in Fe2(CO)9 is analyzed using an self consistend field (SCF) wave function for a large basis set. There is no direct Fe-Fe metal-metal bond. The bridging CO's hold the two Fe(CO)3 fragments together by a sigma donation into the empty Fe-Fe d pi orbital and metal donation from the d pi* orbital into the CO 2pi* orbital. The bonding of the terminal CO is similar to that in Ni(CO)4 and the equatorial groups in Fe(CO)5.
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Bauschlicher, Charles W., Jr.. 1986-01-15. On the Bonding in Fe2(CO)9. https://ntrs.nasa.gov/citations/19990062590
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