Manganese, pentacarbonyl(trifluoromethyl)-


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
Δfgas-330.8 ± 5.2kcal/molReviewMartinho Simões 
Δfgas-330.5 ± 1.1kcal/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
Δfsolid-349.4 ± 5.2kcal/molReviewMartinho Simões 
Δfsolid-349.1 ± 1.1kcal/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
Δsub18.6 ± 0.24kcal/molTD-HFCConnor, Zafarani-Moattar, et al., 1982MS
Δsub18.6 ± 0.24kcal/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

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Individual Reactions

C6F3MnO5 (g) = C5MnO5 (g) + Trifluoromethyl radical (g)

By formula: C6F3MnO5 (g) = C5MnO5 (g) + CF3 (g)

Quantity Value Units Method Reference Comment
Δr43.5 ± 3.6kcal/molPIMSMartinho Simões and Beauchamp, 1990The reaction enthalpy was derived from the appearance energy of Mn(CO)5(+), 222.5 ± 1.1 kcal/mol, using Mn(CO)5(CF3) as the neutral precursor, together with the adiabatic ionization energy of Mn(CO)5 radical, 179. ± 3.3 kcal/mol Martinho Simões and Beauchamp, 1990

C6F3MnO5 (cr) + 1.5Bromine (g) = manganese dibromide (cr) + 5Carbon monoxide (g) + Bromotrifluoromethane (g)

By formula: C6F3MnO5 (cr) + 1.5Br2 (g) = Br2Mn (cr) + 5CO (g) + CBrF3 (g)

Quantity Value Units Method Reference Comment
Δr-41.3 ± 0.7kcal/molHAL-HFCConnor, Zafarani-Moattar, et al., 1982 

C7F3MnO6 (cr) = C6F3MnO5 (g) + Carbon monoxide (g)

By formula: C7F3MnO6 (cr) = C6F3MnO5 (g) + CO (g)

Quantity Value Units Method Reference Comment
Δr21.7 ± 0.2kcal/molTD-HFCConnor, Zafarani-Moattar, et al., 1982 

References

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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 and Beauchamp, 1990
Martinho Simões, J.A.; Beauchamp, J.L., Chem. Rev., 1990, 90, 629. [all data]


Notes

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