Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)-
- Formula: C8H5MnO3
- Molecular weight: 204.0615
- IUPAC Standard InChIKey: CZPHEHHRMHXAIK-UHFFFAOYSA-N
- CAS Registry Number: 12079-65-1
- 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, tricarbonyl-π-cyclopentadienyl-; π-Cyclopentadienylmanganese tricarbonyl; Cyclopentadienylmanganese tricarbonyl; Cyclopentadienyltricarbonylmanganese; Cymantrene; Manganese, cyclopentadienyltricarbonyl-; Tricarbonyl-π-cyclopentadienylmanganese; Tricarbonylcyclopentadienylmanganese; (η5-Cyclopentadienyl) manganese tricarbonyl; Cyklopentadientrikarbonylmanganium; MCT; Tricarbonyl(η5-cyclopentadienyl)manganese; tricarbonyl(η-cyclopentadienyl)manganese
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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 as indicated in comments:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -525.9 ± 4.4 | kJ/mol | Review | Martinho Simões | MS |
ΔfH°solid | -542.7 ± 8.5 | kJ/mol | Review | Martinho Simões | MS |
ΔfH°solid | -534.3 ± 8.4 | kJ/mol | Review | Martinho Simões | Selected data. Average of the values from Evstigneeva and Shmyreva, 1965 and Lautsch, Erzberger, et al., 1958; MS |
ΔfH°solid | -478. ± 1. | kJ/mol | CC-SB | Chipperfield, Sneyd, et al., 1979 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; The value for the enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979; MS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3858.1 ± 4.2 | kJ/mol | CC-SB | Evstigneeva and Shmyreva, 1965 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970.; MS |
ΔcH°solid | -3841.3 ± 8.4 | kJ/mol | CC-SB | Lautsch, Tröber, et al., 1963 | Please also see Lautsch, Erzberger, et al., 1958, Pedley and Rylance, 1977, and Cox and Pilcher, 1970.; MS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 259.35 | J/mol*K | N/A | Chhor, Pommier, et al., 1983 | DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
214.79 | 298.15 | Chhor, Pommier, et al., 1983 | T = 10 to 300 K.; DH |
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
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) = C14H21MnO2 (solution) +
(solution)
By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 196. ± 7. | kJ/mol | AVG | N/A | Average of 18 values; Individual data points |
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 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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.6 | PE | Calabro, Hubbard, et al., 1981 | LLK |
8.06 ± 0.01 | EI | Efraty, Huang, et al., 1975 | LLK |
8.12 | EI | Muller, Fenderl, et al., 1971 | LLK |
8.1 ± 0.1 | EI | Muller and Fenderl, 1971 | LLK |
8.1 ± 0.1 | EI | Muller and Herberhold, 1968 | RDSH |
8.3 ± 0.4 | EI | Winters and Kiser, 1965 | RDSH |
8.05 | PE | Calabro, Hubbard, et al., 1981 | Vertical value; LLK |
8.05 | PE | Lichtenberger and Fenske, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H3+ | 20.3 ± 0.4 | ? | EI | Winters and Kiser, 1965 | RDSH |
C5H5Mn+ | 11.67 ± 0.04 | 3CO | EI | Efraty, Huang, et al., 1975 | LLK |
C5H5Mn+ | 11.0 ± 0.3 | 3CO | EI | Muller and Herberhold, 1968 | RDSH |
C6H5OMn+ | 9.28 ± 0.01 | 2CO | EI | Efraty, Huang, et al., 1975 | LLK |
C6H5OMn+ | 9.5 ± 0.2 | 2CO | EI | Muller and Herberhold, 1968 | RDSH |
C7H5O2Mn+ | 8.37 ± 0.01 | CO | EI | Efraty, Huang, et al., 1975 | LLK |
C7H5O2Mn+ | 8.8 ± 0.1 | CO | EI | Muller and Herberhold, 1968 | RDSH |
Mn+ | 15.32 ± 0.02 | 3CO+C5H5 | EI | Efraty, Huang, et al., 1975 | LLK |
Mn+ | 14.4 ± 0.5 | ? | EI | Muller and Herberhold, 1968 | RDSH |
References
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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]
Evstigneeva and Shmyreva, 1965
Evstigneeva, E.V.; Shmyreva, G.O.,
Russ. J. Phys. Chem., 1965, 39, 529. [all data]
Lautsch, Erzberger, et al., 1958
Lautsch, W.F.; Erzberger, P.; Tröber, A.,
Wiss. Z. Tech. Hochsch. Chem. Leuna-Merseburg, 1958, 1, 31. [all data]
Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E.,
J. Organometal. Chem., 1979, 178, 177. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds
in Academic Press, New York, 1970. [all data]
Lautsch, Tröber, et al., 1963
Lautsch, W.F.; Tröber, A.; Zimmer, W.; Mehner, L.; Linck, W.; Lehmann, H.M.; Brandenberger, H.; Korner, H.; Metschker, H.-J.; Wagner, K.; Kaden, R.,
Z. Chem., 1963, 3, 415. [all data]
Chhor, Pommier, et al., 1983
Chhor, K.; Pommier, C.; Diot, M.,
Low-temperature thermodynamic study of cymantrene (C5H5Mn(CO)3) and azacymantrene (C4H4NMn(CO)3),
Mol. Cryst. Liq. Cryst., 1983, 100, 193-209. [all data]
Calabro, Hubbard, et al., 1981
Calabro, D.C.; Hubbard, J.L.; Blevins, C.H., II; Campbell, A.C.; Lichtenberger, D.L.,
The effects of methyl group substitution on metal-coordinated cyclopentadienyl rings. The core and valence ionizations of methylated tricarbonyl(η5-cyclopentadienyl)metal complexes,
J. Am. Chem. Soc., 1981, 103, 6839. [all data]
Efraty, Huang, et al., 1975
Efraty, A.; Huang, M.H.A.; Weston, C.A.,
Mass spectra of organometallic compounds. V. Electron-impact study of the cyclopentadienylmanganese thiocarbonyl and carbonyl complexes RC5H4Mn(CO)2CX [R=H, CH3; X = S, O],
Inorg. Chem., 1975, 14, 2796. [all data]
Muller, Fenderl, et al., 1971
Muller, J.; Fenderl, K.; Mertschenk, B.,
Die Donor-Akzeptor-Eigenschaften des Liganden Trifluorphosphin in Ubergangsmetallkomplexen,
Chem. Ber., 1971, 104, 700. [all data]
Muller and Fenderl, 1971
Muller, J.; Fenderl, K.,
Reaktionen des π-Cyclopentadienyl-Mangantricarbonyl-Kations mit einfachen Fluorverbindungen in der gasphase,
Chem. Ber., 1971, 104, 2207. [all data]
Muller and Herberhold, 1968
Muller, J.; Herberhold, M.,
Massenspektroskopische Untersuchungen an C5H5Mn(CO)3 und C5H5Mn(CO)2 L-Komplexen,
J. Organometal. Chem., 1968, 13, 399. [all data]
Winters and Kiser, 1965
Winters, R.E.; Kiser, R.W.,
Ions produced in the mass spectrometer from cyclopentadienylmetal carbonyl compounds of cobalt, manganese and vanadium,
J. Organometal. Chem., 1965, 4, 190. [all data]
Lichtenberger and Fenske, 1976
Lichtenberger, D.L.; Fenske, R.F.,
The helium(I) photoelectron spectra and electronic structure of (η5-Cyclopentadienyl) d6 metal carbonyls,
J. Am. Chem. Soc., 1976, 98, 50. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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