Hydromanganese pentacarbonyl
- Formula: C5HMnO5
- Molecular weight: 195.9965
- IUPAC Standard InChIKey: SKOPWNLHPUYPLV-UHFFFAOYSA-N
- CAS Registry Number: 16972-33-1
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔfH°gas | -739.6 ± 9.4 | kJ/mol | Review | Martinho Simões | The 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 |
---|---|---|---|---|---|
ΔfH°liquid | -777.4 ± 9.4 | kJ/mol | Review | Martinho Simões | The 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 |
---|---|---|---|---|---|
ΔvapH° | 37.8 ± 0.8 | kJ/mol | RSC | Hieber 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
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 |
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 |
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) | 835.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 803.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.5 ± 0.1 | EI | Saalfeld, McDowell, et al., 1973 | LLK |
8.85 | PE | Head, Nixon, et al., 1975 | Vertical value; LLK |
8.85 | PE | Hall, 1975 | Vertical value; LLK |
9.00 | PE | Evans, Green, et al., 1969 | Vertical value; RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHMnO+ | 12.7 | 4CO | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C2HMnO2+ | 10.3 | 3CO | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C2MnO2+ | 13.7 | ? | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C3HMnO3+ | 9.9 | 2CO | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C3MnO3+ | 13.2 | ? | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C4HMnO4+ | 8.7 | CO | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C4MnO4+ | 11.2 | ? | EI | Saalfeld, McDowell, et al., 1973 | LLK |
C5MnO5+ | 10.3 ± 0.1 | H | EI | Stevens, 1981 | LLK |
HMn+ | 13.8 | 5CO | EI | Saalfeld, McDowell, et al., 1973 | LLK |
Mn+ | 17.3 | ? | EI | Saalfeld, McDowell, et al., 1973 | LLK |
De-protonation reactions
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, 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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- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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