Manganocene
- Formula: C10H10Mn
- Molecular weight: 185.1244
- IUPAC Standard InChIKey: QROCSKKOEBOLQO-UHFFFAOYSA-N
- CAS Registry Number: 73138-26-8
- 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. - Species with the same structure:
- Other names: Manganese, bis(η5-cyclopentadienyl); Manganese dicyclopentadienide
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- Other data available:
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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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 276.9 ± 3.0 | kJ/mol | Review | Martinho Simões | |
ΔfH°gas | 273.7 ± 2.6 | kJ/mol | Review | 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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 75.7 ± 1.7 | kJ/mol | CC-SB | Pilcher and Skinner, 1982 | Another literature value for the enthalpy of sublimation has been reported: 72.4 kJ/mol Wilkinson, Cotton F.A., et al., 1956; MS |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.041 | 55. to 75. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda transition.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.63 | 55. to 75. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda; DH |
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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C10H10Mn+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
6.18 | EQ | Ryan, Eyler, et al., 1992 | T = 350K; LL |
6.55 | PE | Rabalais, Werme, et al., 1972 | LLK |
7.3 ± 0.1 | EI | Muller and D'Or, 1967 | RDSH |
6.26 | PE | Cauletti, Green, et al., 1980 | Vertical value; LLK |
6.26 | PE | Evans, Green, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H5Mn+ | 11.1 ± 0.1 | ? | EI | Muller and D'Or, 1967 | RDSH |
Mn+ | 13.6 ± 0.3 | ? | EI | Muller and D'Or, 1967 | RDSH |
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]
Pilcher and Skinner, 1982
Pilcher, G.; Skinner, H.A.,
In The Chemistry of the Metal-Carbon Bond Wiley: New York, Hartley, F. R.; Patai, S., ed(s)., 1982. [all data]
Wilkinson, Cotton F.A., et al., 1956
Wilkinson, G.; Cotton F.A.; Birmingham, J.M.,
J. Inorg. Nucl. Chem., 1956, 2, 95. [all data]
Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II,
Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]
Ryan, Eyler, et al., 1992
Ryan, M.F.; Eyler, J.R.; Richardson, D.E.,
Adiabatic ionization energies, bond disruption enthalpies, and solvation free energies for gas-phase metallocenes and metallocenium ions,
J. Am. Chem. Soc., 1992, 114, 8611. [all data]
Rabalais, Werme, et al., 1972
Rabalais, J.W.; Werme, L.O.; Bergmark, T.; Karlsson, L.; Hussain, M.; Siegbahn, K.,
Electron spectroscopy of open-shell systems: spectra of Ni(C5H5)2, Fe(C5H5)2, Mn(C5H5)2, and Cr(C5H5)Å2,
J. Chem. Phys., 1972, 57, 1185. [all data]
Muller and D'Or, 1967
Muller, J.; D'Or, L.,
Massenspektrometrische Untersuchungen an Dicyclopentadienylkomplexen von Ubergangsmetallen,
J.Organometal. Chem., 1967, 10, 313. [all data]
Cauletti, Green, et al., 1980
Cauletti, C.; Green, J.C.; Kelly, M.R.; Powell, P.; Van Tilborg, J.,
Photoelectron spectra of metallocenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 327. [all data]
Evans, Green, et al., 1974
Evans, S.; Green, M.L.H.; Jewitt, B.; King, G.H.; Orchard, A.F.,
Electronic structures of metal complexes containing the π-cyclopentadienyl and related ligands Part 2. He I photoelectron spectra of the open-shell metallocenes,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 356. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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