Title

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

Abstract

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)93-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.

Department(s)

Chemistry

Comments

This article is corrected by an erratum.

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

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

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