Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-

• Formula: C₉H₇MnO₃
• Molecular weight: 218.0881
• IUPAC Standard InChI: InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;; Copy

  
• IUPAC Standard InChIKey: LYHJNAIHGFWRKM-UHFFFAOYSA-N Copy
• CAS Registry Number: 12108-13-3
• 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(methyl-π-cyclopentadienyl)-; π-(Methylcyclopentadienyl)manganese tricarbonyl; (Methylcyclopentadienyl)manganese tricarbonyl; (Methylcyclopentadienyl)tricarbonylmanganese; Methylcymantrene; Tricarbonyl(methyl-π-cyclopentadienyl)manganese; Tricarbonyl(methylcyclopentadienyl)manganese; Tricarbonyl(2-methylcyclopentadienyl)manganese; 2-(Methylcyclopentadienyl)manganesetricarbonyl; (η5-Methylcyclopentadienyl) manganese tricarbonyl-; (1,2,3,4,5-η-1-Methyl-2,4-cyclopentadien-1-yl)manganese tricarbonyl; Manganese (methylcyclopentadienyl) tricarbonyl; Ak-33x; CI-2; Manganese, tricarbonyl methylcyclopentadienyl; Manganese, tricarbonyl(2-methylcyclopentadienyl)-; MMT; Antiknock-33; Combustion improver -2; Methylcyklopentadientrikarbonylmanganium; Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadie-1-yl]-; Manganese, tricarbonyl[(1,2,3,4,5-η5)-1-methyl-2,4-cyclopentadien-1-yl]-; NSC 22316
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Gas phase ion energetics data

Go To: Top, Mass spectrum (electron ionization), References, Notes

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
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

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

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

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]

Martel and Waller, 1998
Martel, A.A.; Waller, I.M., Negative-ion photoelectron spectrum of tricarbonyl(eta 5-methylcyclopentadienyl)manganate(0), J. Phys. Chem. A, 1998, 102, 50, 10258-10260, https://doi.org/10.1021/jp983333f . [all data]

Calabro and Lichtenberger, 1981
Calabro, D.C.; Lichtenberger, D.L., Valence ionizations of olefins coordinated to metals. Olefin dicarbonyl(η5-(methyl and pentamethyl)cyclopentadienyl)manganese complexes, J. Am. Chem. Soc., 1981, 103, 6846. [all data]

Guimon, Pfister-Guillouzo, et al., 1979
Guimon, C.; Pfister-Guillouzo, G.; Mathey, F., Electronic structure of phosphacymantrene by photoelectron spectroscopy (He I, He II) and E.H.T. calculations, Nouv. J. Chim., 1979, 3, 725. [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]

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]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.