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


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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)833.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity801.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.50 ± 0.10LPESMartel and Waller, 1998Vertical Detachment Energy: 1.0 eV. Derived acidity in paper incorrect:wrong anion EA used; B

Ionization energy determinations

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

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H7Mn+11.21 ± 0.033COEIEfraty, Huang, et al., 1975LLK
C7H7OMn+9.01 ± 0.032COEIEfraty, Huang, et al., 1975LLK
C8H7O2Mn+8.13 ± 0.01COEIEfraty, Huang, et al., 1975LLK
Mn+16.33 ± 0.023CO+C6H7EIEfraty, Huang, et al., 1975LLK

Mass spectrum (electron ionization)

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

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin ETHYL CORPORATION, FERNDALE, MICHIGAN
NIST MS number 25876

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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

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