Chromium, hexacarbonylbis(η5-2,4-cyclopentadien-1-yl)di-, (Cr-Cr)
- Formula: C16H10Cr2O6
- Molecular weight: 402.2392
- IUPAC Standard InChI: InChI=1S/2C5H5.6CO.2Cr/c2*1-2-4-5-3-1;6*1-2;;/h2*1-5H;;;;;;;;
- IUPAC Standard InChIKey: VIBRSGQAZCSDSN-UHFFFAOYSA-N
- CAS Registry Number: 12194-12-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chromium, hexacarbonyldi-π-cyclopentadienyldi-; Bis(tricarbonyltricyclopentadienylchromium); Dicyclopentadienylhexacarbonyldichromium; Di-(π-cyclopentadienyl-tricarbonyl-chromium); Chromium, hexacarbonylbis(η5-2,4-cyclopentadien-1-yl)di-
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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
(cr) +
(g) = 2C8H6CrO3 (cr)
By formula: C16H10Cr2O6 (cr) + H2 (g) = 2C8H6CrO3 (cr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.32 ± 0.96 | kcal/mol | RSC | Landrum and Hoff, 1985 | The reaction enthalpy was obtained from the value for the reaction 2Cr(Cp)(CO)3(H)(cr) + 1,3-cy-C6H8(solution) = [Cr(Cp)(CO)3]2(cr) + cy-C6H10(solution), -23.5 ± 0.91 kcal/mol Landrum and Hoff, 1985, together with the calculated enthalpy for 1,3-cy-C6H8(l) + H2(g) = cy-C6H10(l), -112.2±1.3 Pedley, 1994. It was assumed that 1,3-cy-C6H8 and cy-C6H10 have similar solution enthalpies in heptane |
| ΔrH° | -3.6 ± 1.0 | kcal/mol | DSC | Landrum and Hoff, 1985 | The reaction enthalpy was obtained from the value for the reaction 2Cr(Cp)(CO)3(H)(cr) + 1,3-cy-C6H8(solution) = [Cr(Cp)(CO)3]2(cr) + cy-C6H10(solution), -23.5 ± 0.91 kcal/mol Landrum and Hoff, 1985, together with the calculated enthalpy for 1,3-cy-C6H8(l) + H2(g) = cy-C6H10(l), -112.2±1.3 Pedley, 1994. It was assumed that 1,3-cy-C6H8 and cy-C6H10 have similar solution enthalpies in heptane |
0.5 (solution) +
(cr) = C8H5CrNaO3 (solution)
By formula: 0.5C16H10Cr2O6 (solution) + Na (cr) = C8H5CrNaO3 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -68.14 ± 0.86 | kcal/mol | RSC | Kiss, Nolan, et al., 1994 | solvent: Tetrahydrofuran; The reaction enthalpy was calculated from the enthalpies of the following reactions: 0.5[Cr(Cp)(CO)3]2(solution) + (Na)[Cr(Cp)(CO)2(PPh3)](solution) = (Na)[Cr(Cp)(CO)3](solution) + Cr(Cp)(CO)2(PPh3)(solution), -8.34 ± 0.1 kcal/mol, Cr(Cp)(CO)2(PPh3)(solution) + (Na)(Ph2CO)(solution) = (Na)[Cr(Cp)(CO)2(PPh3)](solution) + Ph2CO(solution), -21.3 ± 0.60 kcal/mol, and Ph2CO(solution) + Na(cr) = (Na)(Ph2CO)(solution), -38.50 ± 0.60 kcal/mol Kiss, Nolan, et al., 1994. |
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 | R.B.KING UNIVERSITY OF GEORGIA, ATHENS, GEORGIA, USA |
| NIST MS number | 17063 |
References
Go To: Top, Reaction thermochemistry 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.
Landrum and Hoff, 1985
Landrum, J.T.; Hoff, C.D.,
J. Organometal. Chem., 1985, 282, 215. [all data]
Pedley, 1994
Pedley, J.B.,
Thermodynamic Data and Structures of Organic Compounds; Thermodynamics Research Center Data Series, Vol I, Thermodynamics Research Center, College Station, 1994. [all data]
Kiss, Nolan, et al., 1994
Kiss, G.; Nolan, S.P.; Hoff, C.D.,
Inorg. Chim. Acta, 1994, 227, 285. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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