Rhenium, pentacarbonylhydro-

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

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Individual Reactions

C5HO5Re (solution) = Hydrogen atom (solution) + C5O5Re (solution)

By formula: C5HO5Re (solution) = H (solution) + C5O5Re (solution)

Quantity Value Units Method Reference Comment
ΔrH°74.7 ± 1.0kcal/molEChemParker, Handoo, et al., 1991solvent: Acetonitrile; Please also see Tilset and Parker, 1989. The reaction enthalpy was obtained from the pKa of the hydride complex (MH), 21.1, and from the oxidation potential of the anion (M-), Re(CO)5(-), by using the equation: ΔHrxn [kJ/mol] = 5.71pKa(MH) + 96.485(Eo)ox(M-) + C. C is a constant that was calculated as 59.49 kcal/mol Parker, Handoo, et al., 1991, by adjusting the previous equation to the calorimetrically derived values for the reactions Cr(Cp)(CO)3(H)(solution) = Cr(Cp)(CO)3(solution) + H(solution), 61.5 ± 1.0 kcal/mol, and Cr(Cp)(CO)2(PPh3)(H)(solution) = Cr(Cp)(CO)2(PPh3)(solution) + H(solution), 59.8 ± 1.0 kcal/mol Kiss, Zhang, et al., 1990. C depends on the solvent and on the reference electrode. The value given implies that the electrode potentials are referenced to ferrocene/ferricinium electrode

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Ionization energy determinations

IE (eV) Method Reference Comment
8.89 ± 0.08PEHigginson, Lloyd, et al., 1975 
8.94PEHall, 1975Vertical value
8.86 ± 0.02PECradock, Ebsworth, et al., 1973Vertical value

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Parker, Handoo, et al., 1991
Parker, V.D.; Handoo, K.L.; Roness, F.; Tilset, M., J. Am. Chem. Soc., 1991, 113, 7493. [all data]

Tilset and Parker, 1989
Tilset, M.; Parker, V.D., J. Am. Chem. Soc., 1989, 111, 6711; ibid. 1990. [all data]

Kiss, Zhang, et al., 1990
Kiss, G.; Zhang, K.; Mukerjee, S.L.; Hoff, C.; Roper, G.C., J. Am. Chem. Soc., 1990, 112, 5657. [all data]

Higginson, Lloyd, et al., 1975
Higginson, B.R.; Lloyd, D.R.; Evans, S.; Orchard, A.F., Photoelectron studies of metal carbonyls. Part 5. - Substituted group VIIA carbonyls, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1913. [all data]

Hall, 1975
Hall, M.B., The use of spin-orbit coupling in the interpretation of photoelectron spectra. I. Application to substituted rhenium pentacarbonyls, J. Am. Chem. Soc., 1975, 97, 2057. [all data]

Cradock, Ebsworth, et al., 1973
Cradock, S.; Ebsworth, E.A.V.; Robertson, A., Photoelectron spectra of some silyl and germyl transition-metal carbonyls and related specis, J. Chem. Soc. Dalton Trans., 1973, 22. [all data]

Notes

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