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

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

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 

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.8PELichtenberger and Fenski, 1974LLK
9.17PELichtenberger and Fenski, 1974Vertical value; LLK
9.20PEEvans, Green, et al., 1969Vertical value; RDSH

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lundquist and Cais, 1962
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 13260
Instrument Cary Model 10-S

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]

Lichtenberger and Fenski, 1974
Lichtenberger, D.I.; Fenski, R.F., Assignment of the photoelectron spectra of Mn(CO)5CH3 and Mn(CO)5CF3, Inorg. Chem., 1974, 13, 486. [all data]

Evans, Green, et al., 1969
Evans, S.; Green, J.C.; Green, M.L.H.; Orchard, A.F.; Turner, D.W., Study of the bonding in pentacarbonylmanganese derivatives by photoelectron spectroscopy, Faraday Discuss. Chem. Soc., 1969, 47, 112. [all data]

Lundquist and Cais, 1962
Lundquist, R.T.; Cais, M., J. Org. Chem., 1962, 27, 1167. [all data]


Notes

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