Tri-ruthenium dodecacarbonyl


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-433.9 ± 6.3kcal/molReviewMartinho Simões 
Δfgas-429.7 ± 5.7kcal/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 by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δsub25.1 ± 4.8kcal/molTD-HFCBaev, Connor, et al., 1981 

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

Tri-ruthenium dodecacarbonyl (solution) + 3Carbon monoxide (solution) = 3C5O5Ru (solution)

By formula: C12O12Ru3 (solution) + 3CO (solution) = 3C5O5Ru (solution)

Quantity Value Units Method Reference Comment
Δr-3.11 ± 0.26kcal/molEqSKoelliker and Bor, 1991solvent: Isooctane; Temperature range: 373-448 K
Δr-6.48 ± 0.45kcal/molEqSBor, 1986solvent: n-Hexane; Temperature range: ca. 348-448 K

Tri-ruthenium dodecacarbonyl (cr) = 12Carbon monoxide (g) + 3ruthenium (cr)

By formula: C12O12Ru3 (cr) = 12CO (g) + 3Ru (cr)

Quantity Value Units Method Reference Comment
Δr137.8 ± 3.1kcal/molTD-HFCBaev, Connor, et al., 1981 
Δr142.0 ± 4.1kcal/molTD-HFCConnor, Skinner, et al., 1973Please also see Pedley and Rylance, 1977.

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

Ionization energy determinations

IE (eV) Method Reference Comment
7.5PEGreen, Mingos, et al., 1981Vertical value; LLK
7.7 ± 0.2PEGreen, Seddon, et al., 1979Vertical value; LLK
7.91PEAjo, Granozzi, et al., 1979Vertical value; LLK

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 161183

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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]

Baev, Connor, et al., 1981
Baev, A.K.; Connor, J.A.; El-Saied, N.I.; Skinner H.A., J. Organometal. Chem., 1981, 213, 151. [all data]

Koelliker and Bor, 1991
Koelliker, R.; Bor, G., J. Organometal. Chem., 1991, 417, 439. [all data]

Bor, 1986
Bor, G., Pure & Appl. Chem., 1986, 58, 543. [all data]

Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y., High temperature microcalorimetric studies of the thermal decomposition and iodination of polynuclear carbonyls of Fe, Co, Ru, Rh, Re, Os and Ir, Faraday Symp. Chem. Soc., 1973, 8, 18, https://doi.org/10.1039/fs9730800018 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Green, Mingos, et al., 1981
Green, J.C.; Mingos, D.M.P.; Seddon, E.A., Ultraviolet photoelectron studies on bonding in some metal carbonyl and metal hydrido carbonyl clusters, Inorg. Chem., 1981, 20, 2595. [all data]

Green, Seddon, et al., 1979
Green, J.C.; Seddon, E.A.; Mingos, D.M.P., U.V. photoelectron spectral studies on the metal carbonyl cluster compounds Os3(CO)12, Ru3(CO)12, and Os6(CO)18, J. Chem. Soc., Chem. Commun., 1979, 94. [all data]

Ajo, Granozzi, et al., 1979
Ajo, D.; Granozzi, G.; Tondello, E.; Fragala, I., Nature of the metal-metal bond in triangulo-Ru3(CO)12 from UV photoelectron spectroscopy and quantum mechanical calculations, Inorg. Chim. Acta, 1979, 37, 191. [all data]


Notes

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