Structure and Properties of Hfe₃(CO)9BH₃R and the Conjugate Bases [HFe3(CO)9BH2R]- (R = H and CH3). Inorganometallic Analogues of Hydrocarbyltriiron Clusters


The ferraboranes (μ-H)Fe3(CO)9BH3R and the conjugate bases [(μ-H)Fe3(CO)9BH2R]-, R = H and CH3, have been prepared and characterized. Crystals of HFe3(CO)9BH4 form in the space group P1 with unit cell parameters a = 8.823 (5) Å, b = 11.523 (5) Å, c = 7.850 (4) Å, α = 98.89 (4)°, β = 109.82 (4)°, γ = 87.92 (4)°, V = 741.7 Å3 and Z = 2. The structure was solved by direct methods and refined to R = 0.061 and Rw = 0.079 for 2157 independent [Fo ≥ 3σ(Fo)] reflections The infrared spectra and 11B NMR and dynamic 1H NMR spectra have been measured for all compounds. Mass spectra and UV-vis spectra are reported for the neutral compounds while the Mössbauer spectrum is reported for one anion (R = H). The neutral compounds can be considered as formal [μ3-BH3R] triiron clusters. Both the neutral and anionic ferraboranes are isoelectronic with the hydrocarbyliron clusters (μ-H)3Fe3(CO)9(μ3-CR), R = H and CH3, and the ferraborane anions are isoprotonic with the hydrocarbyls. As such the ferraboranes are inorganometallic analogues of the organometallic clusters. Among other things, a comparison of these clusters yields insight into the factors important in determining stable hydrogen positions on these tetranuclear systems. © 1986 American Chemical Society.



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© 1986 American Chemical Society (ACS), All rights reserved.