Manganese, benzylpentacarbonyl-
- Formula: C12H7MnO5
- Molecular weight: 286.1190
- CAS Registry Number: 14049-86-6
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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 | -635.7 | kJ/mol | Review | Martinho Simões | The enthalpy of formation is the average of the results for two iodination reaction enthalpies |
| ΔfH°gas | -642.5 ± 9.4 | kJ/mol | Review | Martinho Simões | Selected data |
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C12H7MnO5 (g) = C5MnO5 (g) + (g)
By formula: C12H7MnO5 (g) = C5MnO5 (g) + C7H7 (g)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 135. ± 19. | kJ/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(+), 830. ± 19. kJ/mol, using Mn(CO)5(Bz) as the neutral precursor, together with the adiabatic ionization energy of Bz radical, 694.7 ± 1.9 kJ/mol Martinho Simões, Schultz, et al., 1985. The enthalpy of formation relies on -642.5 ± 9.4 kJ/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° | -194.5 ± 7.8 | kJ/mol | HAL-HFC | Connor, Zafarani-Moattar, et al., 1982 |
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 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, Gas phase thermochemistry data, 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
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
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
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- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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