Iron, methylene-
- Formula: CH2Fe
- Molecular weight: 69.872
- IUPAC Standard InChIKey: PQKZEWNDKDKXNM-UHFFFAOYSA-N
- CAS Registry Number: 95250-85-4
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 224.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 216.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CFe+ | 2.9 ± 0.2 | H2 | PI | Hettich and Freiser, 1986 | LBLHLM |
CHFe+ | 3.5 ± 0.2 | H | PI | Hettich and Freiser, 1986 | LBLHLM |
Fe+ | 3.5 ± 0.2 | CH2 | PI | Hettich and Freiser, 1986 | LBLHLM |
Vibrational and/or electronic energy levels
Go To: Top, 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: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 28000 | T | Ar | Chang, Hauge, et al., 1978 | ||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | CH stretch | 2941.6 | m | Ar | IR | Chang, Kafafi, et al., 1975 Chang, Hauge, et al., 1978 |
3 | FeC stretch | 623.9 | vs | Ar | IR | Chang, Kafafi, et al., 1975 Chang, Hauge, et al., 1978 | |
b1 | 4 | OPLA | 700.3 | s | Ar | IR | Chang, Kafafi, et al., 1975 Chang, Hauge, et al., 1978 |
4 | OPLA | 697.4 | Ar | IR | Chang, Kafafi, et al., 1975 Chang, Hauge, et al., 1978 | ||
b2 | 5 | CH2 a-stretch | 3011.5 | Ar | IR | Chang, Hauge, et al., 1978 | |
6 | CH2 rock | 452.0 | Ar | IR | Chang, Hauge, et al., 1978 | ||
Additional references: Jacox, 1994, page 131
Notes
m | Medium |
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
d | Photodissociation threshold |
References
Go To: Top, 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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Hettich and Freiser, 1986
Hettich, R.L.; Freiser, B.S.,
Gas-phase photodissociation of FeCH2+ and CoCH2+: Determination of the carbide, carbyne, and carbene bond energies,
J. Am. Chem. Soc., 1986, 108, 2537. [all data]
Chang, Hauge, et al., 1978
Chang, S.-C.; Hauge, R.H.; Kafafi, Z.H.; Margrave, J.L.; Billups, W.E.,
Characterization and novel low-temperature reactions of FeCH2 and N2FeCH2,
J. Am. Chem. Soc., 1978, 110, 24, 7975, https://doi.org/10.1021/ja00232a004
. [all data]
Chang, Kafafi, et al., 1975
Chang, S-C.; Kafafi, Z.H.; Hauge, R.H.; Billups, W.E.; Margrave, J.L.,
Isolation and characterization of iron methylene (FeCH2) via FTIR matrix isolation,
J. Am. Chem. Soc., 1975, 107, 5, 1447, https://doi.org/10.1021/ja00291a076
. [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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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