Iron dihydride, tetracarbonyl-

Formula: C₄H₂FeO₄
Molecular weight: 169.901
CAS Registry Number: 12002-28-7
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Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-131.	kcal/mol	Review	Martinho Simões

Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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Individual Reactions

C₄H₂FeO₄ (g) = 2 (g) + C₄FeO₄ (g)

By formula: C₄H₂FeO₄ (g) = 2H (g) + C₄FeO₄ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	kcal/mol	EST	Miller and Beauchamp, 1991	Please also see Martinho Simões and Beauchamp, 1990. The reaction enthalpy was estimated from the activation enthalpy for thermal decomposition in solution, 26. ± 2. kcal/mol Pearson and Mauermann, 1982, yielding Fe(CO)4 and H2, and from the activation enthalpy of the oxidative addition of H2 to Fe(CO)4 in a rare gas matrix, ca. 0. kcal/mol Sweany, 1981, yielding Fe(CO)4H2. The enthalpy of formation relies on -105.1 ± 3.4 kcal/mol for the enthalpy of formation of Fe(CO)4(g)

Gas phase ion energetics data

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Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference
9.65	PE	Guest, Higginson, et al., 1975

References

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Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Miller and Beauchamp, 1991
Miller, A.E.S.; Beauchamp, J.L., J. Am. Chem. Soc., 1991, 113, 8765. [all data]

Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L., Chem. Rev., 1990, 90, 629. [all data]

Pearson and Mauermann, 1982
Pearson, R.G.; Mauermann, H., J. Am. Chem. Soc., 1982, 104, 500. [all data]

Sweany, 1981
Sweany, R.L., J. Am. Chem. Soc., 1981, 103, 2410. [all data]

Guest, Higginson, et al., 1975
Guest, M.F.; Higginson, B.R.; Lloyd, D.R.; Hillier, I.H., Interpretation of the valence photoelectron spectra of Mn(CO)₅H, Mn(CO)₅CH₃ and Fe(CO)₄H₂, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 902. [all data]

Notes

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Symbols used in this document:

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions