Manganese, benzylpentacarbonyl-
- Formula: C12H7MnO5
- Molecular weight: 286.1190
- CAS Registry Number: 14049-86-6
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Reaction 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
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Individual Reactions
C12H7MnO5 (g) = C5MnO5 (g) + (g)
By formula: C12H7MnO5 (g) = C5MnO5 (g) + C7H7 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.3 ± 4.5 | kcal/mol | ICR/PES | Martinho Simões, Schultz, et al., 1985 | Please also see Martinho Simões and Beauchamp, 1990. The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 198.3 ± 4.6 kcal/mol, using Mn(CO)5(Bz) as the neutral precursor, together with the adiabatic ionization energy of Bz radical, 166.0 ± 0.45 kcal/mol Martinho Simões, Schultz, et al., 1985. The enthalpy of formation relies on -153.6 ± 2.2 kcal/mol for the enthalpy of formation of Mn(CO)5(Bz)(g) |
C12H7MnO5 (cr) + 1.5 (g) =
(g) +
(cr) + 5
(g)
By formula: C12H7MnO5 (cr) + 1.5Br2 (g) = C7H7Br (g) + Br2Mn (cr) + 5CO (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -46.5 ± 1.9 | kcal/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.48 ± 0.03 | PE | Simoes, Schultz, et al., 1985 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7+[C6H5CH2+] | 8.6 ± 0.2 | Mn(CO)5 | EI | Simoes, Schultz, et al., 1985 | |
| C7H7Mn+ | 11.7 ± 0.1 | 5CO | EI | Simoes, Schultz, et al., 1985 | |
| C8H7MnO+ | 10.4 ± 0.1 | 4CO | EI | Simoes, Schultz, et al., 1985 | |
| C9H7MnO2+ | 9.3 ± 0.1 | 3CO | EI | Simoes, Schultz, et al., 1985 | |
| C10H7MnO3+ | 8.8 ± 0.1 | 2CO | EI | Simoes, Schultz, et al., 1985 | |
| C11H7MnO4+ | 7.9 ± 0.1 | CO | EI | Simoes, Schultz, et al., 1985 | |
| Mn+ | 15.2 ± 0.3 | C7H7+5CO | EI | Simoes, Schultz, et al., 1985 |
References
Go To: Top, Reaction thermochemistry 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, Schultz, et al., 1985
Martinho Simões, J.A.; Schultz, J.C.; Beauchamp, J.L.,
Organometallics, 1985, 4, 1238. [all data]
Martinho Simões and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L.,
Chem. Rev., 1990, 90, 629. [all data]
Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A.,
Organomet., 1982, 1, 1166. [all data]
Simoes, Schultz, et al., 1985
Simoes, J.A.M.; Schultz, J.C.; Beauchamp, J.L.,
Ion cyclotron resonance and photoelectron studies of the ionization energetics and thermochemical properties of Mn(CO)5(benzyl). Implications for the manganese-manganese bond strength in Mn2(CO)10,
Organometallics, 1985, 4, 1238. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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