Hydromanganese pentacarbonyl
- Formula: C5HMnO5
- Molecular weight: 195.9965
- IUPAC Standard InChI: InChI=1S/5CO.Mn.H/c5*1-2;;
- IUPAC Standard InChIKey: SKOPWNLHPUYPLV-UHFFFAOYSA-N
- CAS Registry Number: 16972-33-1
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess
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Individual Reactions
(solution) =
(solution) + C5MnO5 (solution)
By formula: C5HMnO5 (solution) = H (solution) + C5MnO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 284.5 ± 4.2 | kJ/mol | EChem | Parker, Handoo, et al., 1991 | solvent: Acetonitrile; Please also see Tilset and Parker, 1989. The reaction enthalpy was obtained from the pKa of the hydride complex (MH), 14.1, and from the oxidation potential of the anion (M-), Mn(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 248.9 kJ/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), 257.3 ± 4.2 kJ/mol, and Cr(Cp)(CO)2(PPh3)(H)(solution) = Cr(Cp)(CO)2(PPh3)(solution) + H(solution), 250.2 ± 4.2 kJ/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; MS |
| ΔrH° | 269.7 | kJ/mol | KinS | Billmers, Griffith, et al., 1986 | solvent: Benzene; Please also see Sweany, Butler S.C., et al., 1981. The reaction enthalpy was derived according to the following procedure: the activation energy for the reaction 9,10-Me2C14H8(solution) + 2Mn(CO)5(H)(solution) = 9,10-Me2C14H10(solution) + Mn2(CO)10(solution), 90.8 kJ/mol, was reported in Sweany, Butler S.C., et al., 1981. The rate-limiting step of this reaction is the abstraction of hydrogen from Mn(CO)5(H), producing Mn(CO)5 and 9,10-Me2C14H9 radicals. Therefore, the activation energy is approximately equal to the difference between the enthalpies of the reactions Mn(CO)5(H)(solution) = Mn(CO)5(solution) + H(solution) and 9,10-Me2C14H9(solution) = 9,10-Me2C14H8(solution). The latter was taken as 178.9 kJ/mol Billmers, Griffith, et al., 1986; MS |
(g) =
(g) + C5MnO5 (g)
By formula: C5HMnO5 (g) = H (g) + C5MnO5 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 245. ± 17. | kJ/mol | PIMS | Martinho Simões and Beauchamp, 1990 | The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 993.8 ± 9.6 kJ/mol, using Mn(CO)5(H) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 749. ± 14. kJ/mol Martinho Simões and Beauchamp, 1990; MS |
(solution) +
(solution) = 2
(solution)
By formula: C10Mn2O10 (solution) + H2 (solution) = 2C5HMnO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.4 ± 1.3 | kJ/mol | EqS | Klingler R.J. and Rathke, 1992 | solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS |
(l) +
(cr) =
(g) +
(cr)
By formula: C5HMnO5 (l) + I2 (cr) = HI (g) + C5IMnO5 (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -108. ± 8. | kJ/mol | RSC | Connor, Zafarani-Moattar, et al., 1982 | The reaction enthalpy relies on -25. ± 5. kJ/mol for the enthalpy of solution of HI(g) in benzene Connor, Zafarani-Moattar, et al., 1982.; MS |
C5MnO5- + =
By formula: C5MnO5- + H+ = C5HMnO5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 1301. ± 17. | kJ/mol | IMRB | Miller, Kawamura, et al., 1990 | gas phase; Between CCl3CO2H and HI; B |
References
Go To: Top, Reaction thermochemistry data, Notes
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]
Billmers, Griffith, et al., 1986
Billmers, R.; Griffith, L.L.; Stein, S.E.,
J. Phys. Chem., 1986, 90, 517. [all data]
Sweany, Butler S.C., et al., 1981
Sweany, R.; Butler S.C.; Halpern, J.,
J. Organometal. Chem., 1981, 213, 487. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L.,
Chem. Rev., 1990, 90, 629. [all data]
Klingler R.J. and Rathke, 1992
Klingler R.J.; Rathke, J.W.,
Inorg. Chem., 1992, 31, 804. [all data]
Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A.,
Organomet., 1982, 1, 1166. [all data]
Miller, Kawamura, et al., 1990
Miller, A.E.S.; Kawamura, A.R.; Miller, T.M.,
Effects of Metal and Ligand Substitutions on Gas-Phase Acidities of Transition-Metal Hydrides,
J. Am. Chem. Soc., 1990, 112, 1, 457, https://doi.org/10.1021/ja00157a075
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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