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Issue 37, 2018
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Reversible coordination of N2 and H2 to a homoleptic S = 1/2 Fe(i) diphosphine complex in solution and the solid state

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Abstract

The synthesis and characterisation of the S = 1/2 Fe(I) complex [Fe(depe)2]+[BArF4] ([1]+[BArF4]), and the facile reversible binding of N2 and H2 in both solution and the solid state to form the adducts [1·N2]+ and [1·H2]+, are reported. Coordination of N2 in THF is thermodynamically favourable under ambient conditions (1 atm; ΔG298 = −4.9(1) kcal mol−1), while heterogenous binding is more favourable for H2 than N2 by a factor of ∼300. [1·H2]+[BArF4] represents a rare example of a well-defined, open-shell, non-classical dihydrogen complex, as corroborated by ESR spectroscopy. The rapid exchange between N2 and H2 coordination under ambient conditions is unique for a paramagnetic Fe complex.

Graphical abstract: Reversible coordination of N2 and H2 to a homoleptic S = 1/2 Fe(i) diphosphine complex in solution and the solid state

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The article was received on 23 Apr 2018, accepted on 17 Jul 2018 and first published on 18 Jul 2018


Article type: Edge Article
DOI: 10.1039/C8SC01841C
Chem. Sci., 2018,9, 7362-7369
  • Open access: Creative Commons BY license
    All publication charges for this article have been paid for by the Royal Society of Chemistry

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    Reversible coordination of N2 and H2 to a homoleptic S = 1/2 Fe(I) diphosphine complex in solution and the solid state

    L. R. Doyle, D. J. Scott, P. J. Hill, D. A. X. Fraser, W. K. Myers, A. J. P. White, J. C. Green and A. E. Ashley, Chem. Sci., 2018, 9, 7362
    DOI: 10.1039/C8SC01841C

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