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Hydromanganese pentacarbonyl


Gas phase 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

Quantity Value Units Method Reference Comment
Deltafgas-739.6 ± 9.4kJ/molReviewMartinho SimõesThe enthalpy of formation relies on -911.6 ± 5.0 kJ/mol for the enthalpy of formation of Mn(CO)5(I)(cr)

Condensed phase 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

Quantity Value Units Method Reference Comment
Deltafliquid-777.4 ± 9.4kJ/molReviewMartinho SimõesThe enthalpy of formation relies on -911.6 ± 5.0 kJ/mol for the enthalpy of formation of Mn(CO)5(I)(cr)

Phase change 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

Quantity Value Units Method Reference Comment
Deltavap37.8 ± 0.8kJ/molRSCHieber and Wagner, 1958 

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

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Individual Reactions

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

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

Quantity Value Units Method Reference Comment
Deltar284.5 ± 4.2kJ/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), 14.1, and from the oxidation potential of the anion (M-), Mn(CO)5(-), by using the equation: «DELTA»Hrxn [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
Deltar269.7kJ/molKinSBillmers, Griffith, et al., 1986solvent: 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

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

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

Quantity Value Units Method Reference Comment
Deltar245. ± 17.kJ/molPIMSMartinho Simões and Beauchamp, 1990The 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

Dimanganese decacarbonyl (solution) + Hydrogen (solution) = 2Hydromanganese pentacarbonyl (solution)

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

Quantity Value Units Method Reference Comment
Deltar36.4 ± 1.3kJ/molEqSKlingler R.J. and Rathke, 1992solvent: Supercritical carbon dioxide; Temperature range: 373-463 K; MS

Hydromanganese pentacarbonyl (l) + Iodine (cr) = Hydrogen iodide (g) + Manganese, pentacarbonyliodo- (cr)

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

Quantity Value Units Method Reference Comment
Deltar-108. ± 8.kJ/molRSCConnor, Zafarani-Moattar, et al., 1982The 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- + Hydrogen cation = Hydromanganese pentacarbonyl

By formula: C5MnO5- + H+ = C5HMnO5

Quantity Value Units Method Reference Comment
Deltar1301. ± 17.kJ/molIMRBMiller, Kawamura, et al., 1990gas phase; Between CCl3CO2H and HI; B

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)835.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity803.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.5 ± 0.1EISaalfeld, McDowell, et al., 1973LLK
8.85PEHead, Nixon, et al., 1975Vertical value; LLK
8.85PEHall, 1975Vertical value; LLK
9.00PEEvans, Green, et al., 1969Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHMnO+12.74COEISaalfeld, McDowell, et al., 1973LLK
C2HMnO2+10.33COEISaalfeld, McDowell, et al., 1973LLK
C2MnO2+13.7?EISaalfeld, McDowell, et al., 1973LLK
C3HMnO3+9.92COEISaalfeld, McDowell, et al., 1973LLK
C3MnO3+13.2?EISaalfeld, McDowell, et al., 1973LLK
C4HMnO4+8.7COEISaalfeld, McDowell, et al., 1973LLK
C4MnO4+11.2?EISaalfeld, McDowell, et al., 1973LLK
C5MnO5+10.3 ± 0.1HEIStevens, 1981LLK
HMn+13.85COEISaalfeld, McDowell, et al., 1973LLK
Mn+17.3?EISaalfeld, McDowell, et al., 1973LLK

De-protonation reactions

C5MnO5- + Hydrogen cation = Hydromanganese pentacarbonyl

By formula: C5MnO5- + H+ = C5HMnO5

Quantity Value Units Method Reference Comment
Deltar1301. ± 17.kJ/molIMRBMiller, Kawamura, et al., 1990gas phase; Between CCl3CO2H and HI; B

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, Notes

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

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

Hieber and Wagner, 1958
Hieber, W.; Wagner, G., Z. Naturforsch., B: Anorg. Chem., Org. Chem., Biochem., Biophys., Biol., 1958, 13, 339. [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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Saalfeld, McDowell, et al., 1973
Saalfeld, F.E.; McDowell, M.V.; DeCorpo, J.J.; Berry, A.D.; MacDiarmid, A.G., Mass spectral studies of some manganese carbonyls, Inorg. Chem., 1973, 12, 48. [all data]

Head, Nixon, et al., 1975
Head, R.A.; Nixon, J.F.; Sharp, G.J.; Clark, R.J., Photoelectron spectroscopic study of metal trifluorophosphine and hydridotrifluorophosphine complexes, J. Chem. Soc. Dalton Trans., 1975, 2054. [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]

Evans, Green, et al., 1969
Evans, S.; Green, J.C.; Green, M.L.H.; Orchard, A.F.; Turner, D.W., Study of the bonding in pentacarbonylmanganese derivatives by photoelectron spectroscopy, Faraday Discuss. Chem. Soc., 1969, 47, 112. [all data]

Stevens, 1981
Stevens, A.E., [Title unavailable], Ph.D. Thesis, California Institute of Technology, 1981. [all data]


Notes

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