Osmium, dodecacarbonyltri-, triangulo
- Formula: C12O12Os3
- Molecular weight: 906.81
- IUPAC Standard InChIKey: VUBLMKVEIPBYME-UHFFFAOYSA-N
- CAS Registry Number: 15696-40-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Dodecacarbonyl-triangulo-triosmium; Dodecacarbonyltriosmium; Osmium carbonyl (Os3(CO)12); Osmium dodecacarbonyl; Triosmium dodecacarbonyl; Os3(CO)12; Osmium carbonyl; Triangulo-dodecacarbonyltriosmium
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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 | -1644. ± 26. | kJ/mol | Review | Martinho Simões |
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
C11H2O11Os (solution) + (solution) = (g) + (solution)
By formula: C11H2O11Os (solution) + CO (solution) = H2 (g) + C12O12Os3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.7 ± 9.6 | kJ/mol | ES/KS | Poë, Sampson, et al., 1993 | solvent: Decalin; Calculated from equilibrium and kinetic data Poë, Sampson, et al., 1993. |
ΔrH° | -77.4 ± 9.7 | kJ/mol | N/A | Poë, Sampson, et al., 1993 | solvent: Decalin; Calculated from data for the reactions Os3(CO)10(H)2(solution) + CO(solution) = Os3(CO)11(H)2(solution) (hrxn [kJ/mol]=-39.7±1.3, srxn [J/(mol K)]=-80.3±3.8) and Os3(CO)11(H)2(solution) + CO(solution) = Os3(CO)12(solution) + H2(g) (hrxn [kJ/mol]=-37.7±9.6, srxn [J/(mol K)]=-32.6±27.6) Poë, Sampson, et al., 1993. |
By formula: C12O12Os3 (cr) = 12CO (g) + 3Os (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 423. ± 17. | kJ/mol | TD-HFC | Connor, Skinner, et al., 1973 | Please also see Pedley and Rylance, 1977. The value for the reaction enthalpy was considered a low limit Connor, Skinner, et al., 1973 |
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.8 | PE | Sherwood and Hall, 1982 | LBLHLM |
7.83 | PE | Green, Mingos, et al., 1981 | Vertical value; LLK |
7.83 | PE | Mingos, 1980 | Vertical value; LLK |
7.83 | PE | Green, Mingos, et al., 1980 | Vertical value; LLK |
7.8 ± 0.2 | PE | Green, Seddon, et al., 1979 | Vertical 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 | B.F.G.JOHNSON DEPT. OF CHEM., UNIV. OF MANCHESTER, UK |
NIST MS number | 18778 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
Poë, Sampson, et al., 1993
Poë, A.J.; Sampson, C.N.; Smith, R.T.; Zheng, Y.,
J. Am. Chem. Soc., 1993, 115, 3174. [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]
Sherwood and Hall, 1982
Sherwood, D.E., Jr.; Hall, M.B.,
Electronic structure of metal clusters. 2. Photoelectron spectrum and molecular orbital calculations of decacarbonyldihydridotriosmium,
Inorg. Chem., 1982, 21, 3458. [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]
Mingos, 1980
Mingos, D.M.P.,
Theoretical structural studies on organometallic cluster molecules,
Pure Appl. Chem., 1980, 52, 705. [all data]
Green, Mingos, et al., 1980
Green, J.C.; Mingos, D.M.P.; Seddon, E.A.,
UV photoelectron spectral studies of carbonylhydrido-clusters and the development of a topological bonding model,
J. Organomet. Chem., 1980, 185, 20. [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]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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