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Manganese, tricarbonyl[(1,2,3,4,5-η5)-1-methyl-2,4-cyclopentadien-1-yl]-


Gas phase ion energetics data

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Data evaluated as indicated in comments:
HL - E.P. Hunter and S.G. Lias
Data compiled as indicated in comments:
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
Quantity Value Units Method Reference Comment
Proton affinity (review) 833.8 kJ/mol N/A Hunter and Lias, 1998 HL
Quantity Value Units Method Reference Comment
Gas basicity (review) 801.3 kJ/mol N/A Hunter and Lias, 1998 HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.5 PE Calabro and Lichtenberger, 1981 LLK
~8.1 PE Guimon, Pfister-Guillouzo, et al., 1979 LLK
7.86 ± 0.01 EI Efraty, Huang, et al., 1975 LLK
7.89 PE Calabro and Lichtenberger, 1981 Vertical value; LLK
7.89 PE Calabro, Hubbard, et al., 1981 Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products Method Reference Comment
C6H7Mn+ 11.21 ± 0.03 3CO EI Efraty, Huang, et al., 1975 LLK
C7H7OMn+ 9.01 ± 0.03 2CO EI Efraty, Huang, et al., 1975 LLK
C8H7O2Mn+ 8.13 ± 0.01 CO EI Efraty, Huang, et al., 1975 LLK
Mn+ 16.33 ± 0.02 3CO+C6H7 EI Efraty, Huang, et al., 1975 LLK

Mass Spectrum

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Data compiled by: NIST Mass Spec Data Center, S.E. Stein, director
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Origin ETHYL CORPORATION, FERNDALE, MICHIGAN
Origin code AST
Instrument GEC
Instrument IE (eV) 70
Source temp. (C) 240
EPA MS number 25876

 

All mass spectra in this site (plus many more) are available from the 1998 NIST/EPA/NIH Mass Spectral Library. This libary is available with software for Windows or as ASCII data.

References

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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.  [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 / Error Report

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