Chromium, bis(η6-benzene)-
- Formula: C12H12Cr
- Molecular weight: 208.2198
- IUPAC Standard InChIKey: HVURSIGIEONDKB-UHFFFAOYSA-N
- CAS Registry Number: 1271-54-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chromium, bis(benzene)-; Bis(benzene)chromium; Dibenzenechromium; bis(η6-Benzene) chromium; Bis(benzene)chromium(0)
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 18.7 ± 1.5 | kcal/mol | N/A | Pilcher and Skinner, 1983 | See also Connor, Skinner, et al., 1973.; AC |
ΔsubH° | 18.7 ± 1.5 | kcal/mol | N/A | Fischer and Schreiner, 1958 | AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.4 | 343. | A | Stephenson and Malanowski, 1987 | Based on data from 323. to 363. K.; AC |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
234.6 | crystaline, II | crystaline, I | Andrews, Westrum, et al., 1969 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
4.9 | EI | Devyatykh, Larin, et al., 1969 | RDSH |
5.9 ± 0.1 | EI | Muller and Goser, 1968 | RDSH |
5.7 ± 0.1 | EI | Pignataro and Lossing, 1967 | RDSH |
5.40 | PE | Cabelli, Cowley, et al., 1982 | Vertical value; LBLHLM |
5.45 ± 0.02 | PE | Guest, Hillier, et al., 1975 | Vertical value; LLK |
5.4 ± 0.1 | PE | Evans, Green, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H6+ | 10.1 | ? | EI | Devyatykh, Larin, et al., 1969 | RDSH |
C6H6Cr+ | 8.9 | ? | EI | Devyatykh, Larin, et al., 1969 | RDSH |
C6H6Cr+ | 8.8 ± 0.2 | ? | EI | Muller and Goser, 1968 | RDSH |
C6H6Cr+ | 9.2 ± 0.2 | ? | EI | Pignataro and Lossing, 1967 | RDSH |
Cr+ | 9.9 ± 0.3 | ? | EI | Devyatykh, Larin, et al., 1969 | RDSH |
Cr+ | 10.8 ± 0.3 | ? | EI | Muller and Goser, 1968 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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 | MPI,43536-G0981,21-AUG-66 (ID=2, PURITY=4) |
NIST MS number | 45424 |
References
Go To: Top, Phase change 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.
Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A.,
Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2
. [all data]
Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y.,
Microcalorimetric studies. Thermal decomposition and iodination of bis(benzene)chromium, bis(benzene)-chromium iodide, and some (arene)chromium tricarbonyls,
J. Chem. Soc., Faraday Trans. 1, 1973, 69, 0, 1218, https://doi.org/10.1039/f19736901218
. [all data]
Fischer and Schreiner, 1958
Fischer, Ernst Otto; Schreiner, Siegfried,
Über Aromatenkomplexe von Metallen, XX. Verbrennungswärme und Bildungswärme von Di-benzol-chrom,
Chem. Ber., 1958, 91, 10, 2213-2215, https://doi.org/10.1002/cber.19580911029
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Andrews, Westrum, et al., 1969
Andrews, J.T.S.; Westrum, E.F., Jr.; Bjerrum, N.,
Heat capacity and vapor pressure of crystalline bis(benzene)chromium. Third-law entropy comparison and thermodynamic evidence concerning the structure of bis(benzene)chromium,
J. Organometal. Chem., 1969, 17, 293-302. [all data]
Devyatykh, Larin, et al., 1969
Devyatykh, G.G.; Larin, N.V.; Gaivoronskii, P.E.,
Mass spectrum of bis(benzene)chromiurn and the appearance potentials of ions,
Zh. Obshch. Khim., 1969, 39, 1823, In original 1786. [all data]
Muller and Goser, 1968
Muller, J.; Goser, P.,
Massenspektroskopische Untersuchungen an Ubergangsmetall-π-Komplexen mit funf-, sechs- und siebengliedrigen aromatischen Ringliganden,
J. Organometal. Chem., 1968, 12, 163. [all data]
Pignataro and Lossing, 1967
Pignataro, S.; Lossing, F.P.,
Mass spectra and ionization potentials of C6H6CrC6H6 and C6H6Cr(CO)3,
J. Organometal. Chem., 1967, 10, 531. [all data]
Cabelli, Cowley, et al., 1982
Cabelli, D.E.; Cowley, A.H.; Lagowski, J.J.,
The bonding in some bis(arene)chromium compounds as indicated by U. V. photoelectron zpectroscopy,
Inorg. Chim. Acta, 1982, 57, 195. [all data]
Guest, Hillier, et al., 1975
Guest, M.F.; Hillier, I.H.; Higginson, B.R.; Lloyd, D.R.,
The electronic structure of transition metal complexes containing organic ligands II. Low energy photoelectron spectra and ab initio SCF MO calculations of dibenzene chromium and benzene chromium tricarbonyl,
Mol. Phys., 1975, 29, 113. [all data]
Evans, Green, et al., 1972
Evans, S.; Green, J.C.; Jackson, S.E.,
He(I) photoelectron spectra of some π-arene complexes,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 249. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Ttrs Temperature of phase transition ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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