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Manganese, benzylpentacarbonyl-


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
Deltafgas-635.7kJ/molReviewMartinho SimõesThe enthalpy of formation is the average of the results for two iodination reaction enthalpies
Deltafgas-642.5 ± 9.4kJ/molReviewMartinho SimõesSelected data

Condensed 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
Deltafsolid-720.2kJ/molReviewMartinho SimõesThe enthalpy of formation is the average of the results for two iodination reaction enthalpies
Deltafsolid-727.0 ± 9.4kJ/molReviewMartinho SimõesSelected data

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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub84.5 ± 0.7kJ/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982MS
Deltasub84.5 ± 0.7kJ/molCConnor, Zafarani-Moattar, et al., 1982, 2AC

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) + Benzyl radical (g)

By formula: C12H7MnO5 (g) = C5MnO5 (g) + C7H7 (g)

Quantity Value Units Method Reference Comment
Deltar135. ± 19.kJ/molICR/PESMartinho Simões, Schultz, et al., 1985Please 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) + 1.5Bromine (g) = Benzene, (bromomethyl)- (g) + manganese dibromide (cr) + 5Carbon monoxide (g)

By formula: C12H7MnO5 (cr) + 1.5Br2 (g) = C7H7Br (g) + Br2Mn (cr) + 5CO (g)

Quantity Value Units Method Reference Comment
Deltar-194.5 ± 7.8kJ/molHAL-HFCConnor, 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 ± 0.03PESimoes, Schultz, et al., 1985

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+[C6H5CH2+]8.6 ± 0.2Mn(CO)5EISimoes, Schultz, et al., 1985 
C7H7Mn+11.7 ± 0.15COEISimoes, Schultz, et al., 1985 
C8H7MnO+10.4 ± 0.14COEISimoes, Schultz, et al., 1985 
C9H7MnO2+9.3 ± 0.13COEISimoes, Schultz, et al., 1985 
C10H7MnO3+8.8 ± 0.12COEISimoes, Schultz, et al., 1985 
C11H7MnO4+7.9 ± 0.1COEISimoes, Schultz, et al., 1985 
Mn+15.2 ± 0.3C7H7+5COEISimoes, Schultz, et al., 1985 

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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]

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]

Connor, Zafarani-Moattar, et al., 1982, 2
Connor, Joseph A.; Zafarani-Moattar, Mohamed T.; Bickerton, James; El Saied, Nabila I.; Suradi, Sukiman; Carson, Ronald; Al Takhin, Ghassan; Skinner, Henry A., Enthalpy of formation of acyl-, alkyl- and hydridopentacarbonyl-manganese complexes. The enthalpy contributions of manganese-hydrogen and manganese-carbon bonds in these molecules. Thermochemical aspects of models in Fischer-Tropsch reactions, Organometallics, 1982, 1, 9, 1166-1174, https://doi.org/10.1021/om00069a011 . [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]

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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