Manganese, tricarbonyl(η5-2,4-cyclopentadien-1-yl)-

• Formula: C₈H₅MnO₃
• Molecular weight: 204.0615
• IUPAC Standard InChI: InChI=1S/C5H5.3CO.Mn/c1-2-4-5-3-1;3*1-2;/h1-5H;;;; Copy

  
• IUPAC Standard InChIKey: CZPHEHHRMHXAIK-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Temperature of phase transition

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

Appearance energy determinations

References

Go To: Top, Gas phase thermochemistry data, Phase change 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.

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]

Chhor, Pommier, et al., 1983
Chhor, K.; Pommier, C.; Diot, M., Low-temp. thermodynamic study of cymantrene (C5H5Mn(CO)3) and azacymantrene (C4H4NMn(CO)3), Mol. Cryst. Liq. Cryst., 1983, 100, 193. [all data]

Picciochi, Canongia Lopes, et al., 2008
Picciochi, Ricardo; Canongia Lopes, Jose N.; Diogo, Herminio P.; Minas da Piedade, Manuel E., Experimental and Molecular Dynamics Simulation Study of the Sublimation Energetics of Cyclopentadienyltricarbonylmanganese (Cymantrene), J. Phys. Chem. A, 2008, 112, 41, 10429-10434, https://doi.org/10.1021/jp805607d . [all data]

Baev and Demyanchuck, 1970
Baev, A.K.; Demyanchuck, V.V., Obshch. Prikl. Khim., 1970, 3, 65. [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Cordes and Schreiner, 1959
Cordes, J.F.; Schreiner, S., Dampfdruckmessungen bei einigen Aromatenkomplexen, Z. Anorg. Allg. Chem., 1959, 299, 1-2, 87-91, https://doi.org/10.1002/zaac.19592990111 . [all data]

Chhor, Pommier, et al., 1983, 2
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

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• Symbols used in this document:
  

  AE	Appearance energy
  Ttriple	Triple point temperature
  Ttrs	Temperature of phase transition
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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