Fe(CO)
- Formula: CFeO
- Molecular weight: 83.855
- CAS Registry Number: 71701-40-1
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: José A. Martinho Simões
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Individual Reactions
C2FeO2 (g) = (g) + CFeO (g)
By formula: C2FeO2 (g) = CO (g) + CFeO (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.7 ± 3.5 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | |
ΔrH° | >27.0 | kcal/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5. |
ΔrH° | 23.9 ± 6.9 | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons. |
By formula: CFeO (g) = CO (g) + Fe (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 ± 3.5 | kcal/mol | FA-SIFT | Sunderlin, Wang, et al., 1992 | |
ΔrH° | <39.0 | kcal/mol | N/A | Venkataraman, Bandukwalla, et al., 1989 | Method: Velocity distributions of photofragments from Fe(CO)5. |
ΔrH° | 21. ± 6.9 | kcal/mol | N/A | Engelking and Lineberger, 1979 | Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons. |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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: John E. Bartmess
View reactions leading to CFeO+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.1570 ± 0.0050 | LPES | Villalta and Leopold, 1993 | |
1.260 ± 0.022 | LPES | Engelking and Lineberger, 1979 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry 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: Marilyn E. Jacox
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 1135 ± 25 | gas | Villalta and Leopold, 1993 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CO stretch | 1990 ± 15 | gas | PE | Villalta and Leopold, 1993 | |
Π | 2 | Bend | 180 ± 60 | gas | PE | Villalta and Leopold, 1993 | |
Σ+ | 3 | FeC stretch | 460 ± 15 | gas | PE | Villalta and Leopold, 1993 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CO stretch | 1946.47 | gas | IR PE | Ryther and Weitz, 1991 Villalta and Leopold, 1993 Tanaka, Sakaguchi, et al., 1997 | |
1 | CO stretch | 1933.7 | Ne | IR | Zhou and Andrews, 1999 | ||
1 | CO stretch | 1922.0 | T | Ar | IR | Zhou, Chertihin, et al., 1998 | |
Π | 2 | Bend | 330 ± 50 | gas | PE | Kasai, Obi, et al., 1995 | |
Σ+ | 3 | FeC stretch | 530 ± 10 | gas | PE | Kasai, Obi, et al., 1995 | |
Additional references: Jacox, 1994, page 63; Jacox, 1998, page 167; Jacox, 2003, page 66; Tanaka, Shirasaka, et al., 1997; Kagi, Kasai, et al., 1997
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sunderlin, Wang, et al., 1992
Sunderlin, L.S.; Wang, D.; Squires, R.R.,
Metal Carbonyl Bond Strengths in Fe(CO)n- and Ni(CO)n-,
J. Am. Chem. Soc., 1992, 114, 8, 2788, https://doi.org/10.1021/ja00034a004
. [all data]
Venkataraman, Bandukwalla, et al., 1989
Venkataraman, B.K.; Bandukwalla, G.; Zhang, Z.; Vernon, M.,
J. Chem. Phys., 1989, 90, 5510. [all data]
Engelking and Lineberger, 1979
Engelking, P.C.; Lineberger, W.C.,
Laser photoelectron spectrometry of the negative ions of iron and iron carbonyls. Electron affinity determination for the series Fe(CO)n,n=0,1,2,3,4,
J. Am. Chem. Soc., 1979, 101, 5569. [all data]
Compton and Stockdale, 1976
Compton, R.N.; Stockdale, J.A.D.,
Formation of gas phase negative ions in Fe(CO)5 and Ni(CO)4,
Int. J. Mass Spectrom. Ion Phys., 1976, 22, 47. [all data]
Villalta and Leopold, 1993
Villalta, P.W.; Leopold, D.G.,
A Study of FeCO- and the 3-Sigma(-) and 5-Sigma(-) States of FeCO by Negative Ion Photoelectron Spectroscopy,
J. Chem. Phys., 1993, 98, 10, 7730, https://doi.org/10.1063/1.464580
. [all data]
Ryther and Weitz, 1991
Ryther, R.J.; Weitz, E.,
Reaction kinetics of coordinatively unsaturated iron carbonyls formed on gas-phase excimer laser photolysis of iron pentacarbonyl,
J. Phys. Chem., 1991, 95, 24, 9841, https://doi.org/10.1021/j100177a043
. [all data]
Tanaka, Sakaguchi, et al., 1997
Tanaka, K.; Sakaguchi, K.; Tanaka, T.,
Time-resolved infrared diode laser spectroscopy of the ν1 band of the iron carbonyl radical (FeCO) produced by the ultraviolet photolysis of Fe(CO)5,
J. Chem. Phys., 1997, 106, 6, 2118, https://doi.org/10.1063/1.473143
. [all data]
Zhou and Andrews, 1999
Zhou, M.; Andrews, L.,
Reactions of laser-ablated iron atoms and cations with carbon monoxide: Infrared spectra of FeCO[sup +], Fe(CO)[sub 2][sup +], Fe(CO)[sub x], and Fe(CO)[sub x][sup -] (x=1--4) in solid neon,
J. Chem. Phys., 1999, 110, 21, 10370, https://doi.org/10.1063/1.478970
. [all data]
Zhou, Chertihin, et al., 1998
Zhou, M.; Chertihin, G.V.; Andrews, L.,
Reactions of laser-ablated iron atoms with carbon monoxide: Infrared spectra and density functional calculations of Fe[sub x]CO, Fe(CO)[sub x], and Fe(CO)[sub x][sup -] (x=1,2,3) in solid argon,
J. Chem. Phys., 1998, 109, 24, 10893, https://doi.org/10.1063/1.477785
. [all data]
Kasai, Obi, et al., 1995
Kasai, Y.; Obi, K.; Ohshima, Y.; Endo, Y.; Kawaguchi, K.,
Pure rotational spectrum of FeCO,
J. Chem. Phys., 1995, 103, 1, 90, https://doi.org/10.1063/1.469626
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Tanaka, Shirasaka, et al., 1997
Tanaka, K.; Shirasaka, M.; Tanaka, T.,
J. Chem. Phys., 1997, 106, 6821. [all data]
Kagi, Kasai, et al., 1997
Kagi, E.; Kasai, Y.; Ungerechts, H.; Kawaguchi, K.,
Astronomical Search and Laboratory Spectroscopy of the FeCO Radical,
Astrophys. J., 1997, 488, 2, 776, https://doi.org/10.1086/304735
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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