Multiple Bonding Between Group 3 Metals and Fe(CO) 3 .

Authors :: Wang JQ
Chi C
Hu HS
Li X
Luo M
Li J
Zhou M
Source :: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2020 Feb 03; Vol. 59 (6), pp. 2344-2348. Date of Electronic Publication: 2020 Jan 03.
Publication Year :: 2020
Abstract: Heteronuclear Group 3 metal/iron carbonyl anion complexes ScFe(CO) <subscript>3</subscript> <superscript>-</superscript> , YFe(CO) <subscript>3</subscript> <superscript>-</superscript> , and LaFe(CO) <subscript>3</subscript> <superscript>-</superscript> are prepared in the gas phase and studied by mass-selective infrared (IR) photodissociation spectroscopy as well as quantum-chemical calculations. All three anion complexes are characterized to have a metal-metal-bonded C <subscript>3v</subscript> equilibrium geometry with all three carbonyl ligands bonded to the iron center and a closed-shell singlet electronic ground state. Bonding analyses reveal that there are multiple bonding interactions between the bare group-3 elements and the Fe(CO) <subscript>3</subscript> <superscript>-</superscript> fragment. Besides one covalent electron-sharing metal-metal σ bond and two dative π bonds from Fe to the Group 3 metal, there is additional multicenter covalent bonding with the Group 3 atom bonded to Fe and the carbon atoms.<br /> (© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)