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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Other data available:
- Phase change data
- Gas phase ion energetics data
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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	-176.8 ± 2.2	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on -217.9 ± 1.2 kcal/mol for the enthalpy of formation of Mn(CO)5(I)(cr)

Condensed phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-185.8 ± 2.2	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on -217.9 ± 1.2 kcal/mol for the enthalpy of formation of Mn(CO)5(I)(cr)

Reaction thermochemistry data

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Data compiled as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess

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Individual Reactions

Hydromanganese pentacarbonyl (solution) = (solution) + C₅MnO₅ (solution)

By formula: C₅HMnO₅ (solution) = H (solution) + C₅MnO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	68.0 ± 1.0	kcal/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: ΔH_rxn [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; MS
Δ_rH°	64.46	kcal/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), 21.7 kcal/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 42.76 kcal/mol Billmers, Griffith, et al., 1986; MS

Hydromanganese pentacarbonyl (g) = (g) + C₅MnO₅ (g)

By formula: C₅HMnO₅ (g) = H (g) + C₅MnO₅ (g)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.6 ± 4.1	kcal/mol	PIMS	Martinho Simões and Beauchamp, 1990	The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 237.5 ± 2.3 kcal/mol, using Mn(CO)5(H) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 179. ± 3.3 kcal/mol Martinho Simões and Beauchamp, 1990; MS

(solution) + (solution) = 2 Hydromanganese pentacarbonyl (solution)

By formula: C₁₀Mn₂O₁₀ (solution) + H₂ (solution) = 2C₅HMnO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.70 ± 0.31	kcal/mol	EqS	Klingler R.J. and Rathke, 1992	solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS

Hydromanganese pentacarbonyl (l) + (cr) = (g) + (cr)

By formula: C₅HMnO₅ (l) + I₂ (cr) = HI (g) + C₅IMnO₅ (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-26. ± 2.	kcal/mol	RSC	Connor, Zafarani-Moattar, et al., 1982	The reaction enthalpy relies on -6. ± 1. kcal/mol for the enthalpy of solution of HI(g) in benzene Connor, Zafarani-Moattar, et al., 1982.; MS

C₅MnO₅^- + = Hydromanganese pentacarbonyl

By formula: C₅MnO₅^- + H⁺ = C₅HMnO₅

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	311.0 ± 4.0	kcal/mol	IMRB	Miller, Kawamura, et al., 1990	gas phase; Between CCl3CO2H and HI; B

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

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

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Symbols used in this document:

Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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