Manganese, pentacarbonylmethyl-
- Formula: C6H3MnO5
- Molecular weight: 210.0231
- IUPAC Standard InChIKey: KJJLHDHVFFAISC-UHFFFAOYSA-N
- CAS Registry Number: 13601-24-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Manganese, pentacarbonylmethyl-, (OC-6-21)-; Methyl pentacarbonylmanganese; Methylmanganese pentacarbonyl; Pentacarbonylmethylmanganese; CH3(CO)5Mn
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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 as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 14.4 ± 0.41 | kcal/mol | HAL-HFC | Hieber and Braun, 1958 | MS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.4 | 293. to 403. | Hieber and Wagner, 1958 | AC |
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
(g) = C5MnO5 (g) + (g)
By formula: C6H3MnO5 (g) = C5MnO5 (g) + CH4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.9 ± 3.6 | kcal/mol | PIMS | Martinho Simões and Beauchamp, 1990 | The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 224.8 ± 1.1 kcal/mol, using Mn(CO)5(Me) 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 |
(solution) + (solution) = (solution)
By formula: C6H3MnO5 (solution) + CO (solution) = C7H3MnO6 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.4 ± 1.0 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran |
ΔrH° | -12.6 | kcal/mol | EqS | Calderazzo, 1977 | solvent: 2,2'-diethoxydiethyl ether |
(cr) + 1.5 (g) = (cr) + 5 (g) + (g)
By formula: C6H3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CH3Br (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -50.0 ± 0.7 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 |
By formula: C7H3MnO6 (cr) = C6H3MnO5 (g) + CO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.5 ± 0.2 | kcal/mol | TD-HFC | Connor, Zafarani-Moattar, et al., 1982 |
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:
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) | 182.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 175.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.4 | PE | Lichtenberger and Fenski, 1974 | LLK |
8.65 | PE | Lichtenberger and Fenski, 1974 | Vertical value; LLK |
8.46 | PE | Evans, Green, et al., 1969 | Vertical value; RDSH |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hieber and Braun, 1958
Hieber, W.; Braun, G.,
Justus Liebigs Ann. Chem., 1958, 24, 618. [all data]
Hieber and Wagner, 1958
Hieber, Walter; Wagner, Gerhard,
Über Organomanganpentacarbonyle, I,
Justus Liebigs Ann. Chem., 1958, 618, 1, 24-30, https://doi.org/10.1002/jlac.19586180104
. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L.,
Chem. Rev., 1990, 90, 629. [all data]
Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D.,
J. Am. Chem. Soc., 1986, 108, 7852. [all data]
Calderazzo, 1977
Calderazzo, F.,
Angew. Chem. Int. Ed. Engl., 1977, 16, 299. [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]
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]
Lichtenberger and Fenski, 1974
Lichtenberger, D.I.; Fenski, R.F.,
Assignment of the photoelectron spectra of Mn(CO)5CH3 and Mn(CO)5CF3,
Inorg. Chem., 1974, 13, 486. [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]
Notes
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- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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