Boron monofluoride (BF), like carbon monoxide (CO) and dinitrogen (N2 ), is a diatomic molecule with 10 valence electrons. Unlike CO and N2, which are stable molecules at room temperature and are commonly found as ligands to transition metals, BF is unstable below 1800°C in the gas phase, and its coordination chemistry is substantially limited. Here, we report the isolation of the iron complex Fe(BF)(CO)2(CNArTripp2)2 [ArTripp2, 2,6-(2,4,6-(i-Pr)3C6H2)2C6H3], featuring a terminal BF ligand. Single-crystal X-ray diffraction as well as nuclear magnetic resonance, infrared, and Mössbauer spectroscopic studies on Fe(BF)(CO)2(CNArTripp2)2 and the isoelectronic dinitrogen (N2 ) and CO complexes Fe(N2)(CO)2(CNArTripp2)2 and Fe(CO)3(CNArTripp2)2 demonstrate that the terminal BF ligand possesses particularly strong sigma-donor and pi-acceptor properties. Density functional theory and electron-density topology calculations support this conclusion.

Coorindation of diatomic boron monofluoride to iron

2019 Fall National Meeting

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