iron
- Formula: Fe
- Molecular weight: 55.845
- IUPAC Standard InChI: InChI=1S/Fe
- IUPAC Standard InChIKey: XEEYBQQBJWHFJM-UHFFFAOYSA-N
- CAS Registry Number: 7439-89-6
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- NIST Atomic Spectra Database - Lines Holdings (on physics web site)
- NIST Atomic Spectra Database - Levels Holdings (on physics web site)
- NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
- Options:
Gas phase ion energetics data
Go To: Top, Ion clustering data, 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
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
B - John E. Bartmess
View reactions leading to Fe+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 7.9024 ± 0.0001 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 754. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 731.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.31 ± 0.20 | D-EA | Miller, Miller, et al., 1993 | Acidity stronger than EtCO2H, comparable to HCO2H.; B |
| 0.1510 ± 0.0030 | LPES | Leopold and Lineberger, 1986 | B |
| 0.164 ± 0.035 | LPES | Engelking and Lineberger, 1979 | B |
| 0.140 ± 0.050 | LPES | Engelking and Lineberger, 1976 | B |
| <0.25 ± 0.20 | EIAE | Compton and Stockdale, 1976 | From Fe(CO)5; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.92 | EI | Russell, Solouki, et al., 1995 | LL |
| 7.9024 | EVAL | Lide, 1992 | LL |
| 7.870 | S | Kelly, 1987 | LBLHLM |
| 7.9023 ± 0.0001 | S | Sugar and Corliss, 1985 | LBLHLM |
| 7.90 | PE | Dyke, Gravenor, et al., 1982 | LBLHLM |
| 7.7 ± 0.2 | EI | Clements and Sale, 1976 | LLK |
| 8.0 ± 0.5 | EI | Hildenbrand, 1975 | LLK |
| 7.870 | S | Moore, 1970 | RDSH |
Ion clustering data
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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: Fe+ + Fe = (Fe+ • Fe)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 260. | kJ/mol | CID | Loh, Lian, et al., 1988 | gas phase; M |
| ΔrH° | 261. | kJ/mol | PDiss | Tecklenberg, Bricker, et al., 1988 | gas phase; ΔrH>; M |
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 268. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( •
) +
= (
• 2
)
By formula: (Fe+ • Fe) + Fe = (Fe+ • 2Fe)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 233. | kJ/mol | PDiss | Tecklenberg, Bricker, et al., 1988 | gas phase; ΔrH<; M |
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 169. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 2
) +
= (
• 3
)
By formula: (Fe+ • 2Fe) + Fe = (Fe+ • 3Fe)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 174. | kJ/mol | CID | Loh, Lian, et al., 1988 | gas phase; M |
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 216. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 3
) +
= (
• 4
)
By formula: (Fe+ • 3Fe) + Fe = (Fe+ • 4Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 260. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 4
) +
= (
• 5
)
By formula: (Fe+ • 4Fe) + Fe = (Fe+ • 5Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 315. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 5
) +
= (
• 6
)
By formula: (Fe+ • 5Fe) + Fe = (Fe+ • 6Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 320. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 6
) +
= (
• 7
)
By formula: (Fe+ • 6Fe) + Fe = (Fe+ • 7Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 252. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 7
) +
= (
• 8
)
By formula: (Fe+ • 7Fe) + Fe = (Fe+ • 8Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 281. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 8
) +
= (
• 9
)
By formula: (Fe+ • 8Fe) + Fe = (Fe+ • 9Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 284. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 9
) +
= (
• 10
)
By formula: (Fe+ • 9Fe) + Fe = (Fe+ • 10Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 308. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 10
) +
= (
• 11
)
By formula: (Fe+ • 10Fe) + Fe = (Fe+ • 11Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 334. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 11
) +
= (
• 12
)
By formula: (Fe+ • 11Fe) + Fe = (Fe+ • 12Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 408. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 12
) +
= (
• 13
)
By formula: (Fe+ • 12Fe) + Fe = (Fe+ • 13Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 281. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 13
) +
= (
• 14
)
By formula: (Fe+ • 13Fe) + Fe = (Fe+ • 14Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 377. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 14
) +
= (
• 15
)
By formula: (Fe+ • 14Fe) + Fe = (Fe+ • 15Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 319. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 15
) +
= (
• 16
)
By formula: (Fe+ • 15Fe) + Fe = (Fe+ • 16Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 323. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 16
) +
= (
• 17
)
By formula: (Fe+ • 16Fe) + Fe = (Fe+ • 17Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 311. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 17
) +
= (
• 18
)
By formula: (Fe+ • 17Fe) + Fe = (Fe+ • 18Fe)
Enthalpy of reaction
| ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 373. | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (FeO- • 4294967295Fe) + Fe = FeO-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 395. ± 17. | kJ/mol | N/A | Drechsler, Boesl, et al., 1997 | gas phase; B |
| ΔrH° | 395. ± 29. | kJ/mol | Ther | Engelking and Lineberger, 1977 | gas phase; B |
References
Go To: Top, Gas phase ion energetics data, Ion clustering data, 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]
Miller, Miller, et al., 1993
Miller, A.E.S.; Miller, T.M.; Morris, R.A.; Viggiano, A.A.; Vandoren, J.M.; Paulson, J.F.,
Reactions of Fe- with Acids - Gas-Phase Acidity and Bond Energy of FeH,
Int. J. Mass Spectrom. Ion Proc., 1993, 123, 3, 205, https://doi.org/10.1016/0168-1176(93)87099-E
. [all data]
Leopold and Lineberger, 1986
Leopold, D.G.; Lineberger, W.C.,
A study of the low-lying electronic states of Fe2 and Co2 by negative ion photoelectron spectroscopy,
J. Chem. Phys., 1986, 85, 51. [all data]
Engelking and Lineberger, 1979
Engelking, P.C.; Lineberger, W.C.,
Laser Photoelectron Spectroscopy of Fe-: the Electron Affinity of Iron and the Nonstatistical Fine Structure Detachment Intensities at 488 nm,
Phys. Rev. A, 1979, 19, 1, 149, https://doi.org/10.1103/PhysRevA.19.149
. [all data]
Engelking and Lineberger, 1976
Engelking, P.C.; Lineberger, W.C.,
Electron Affinity of Atomic Iron and Some Iron Compounds Mearsured by Photoelectron Spectroscopy,
Bull. Am. Phys. Soc., 1976, 21, 1263. [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]
Russell, Solouki, et al., 1995
Russell, D.H.; Solouki, T.; Oriedo, J.V.B.,
Collisional relaxation of metastable electronic states of Fe+,
J. Am. Soc. Mass Spectrom., 1995, 6, 543. [all data]
Lide, 1992
Lide, D.R. (Editor),
Ionization potentials of atoms and atomic ions
in Handbook of Chem. and Phys., 1992, 10-211. [all data]
Kelly, 1987
Kelly, R.L.,
Atomic and ionic spectrum lines of hydrogen through kryton,
J. Phys. Chem. Ref. Data, 1987, 16. [all data]
Sugar and Corliss, 1985
Sugar, J.; Corliss, C.,
Atomic energy levels of the iron period elements: Potassium through nickel,
J. Phys. Chem. Ref. Data, 1985, 14. [all data]
Dyke, Gravenor, et al., 1982
Dyke, J.M.; Gravenor, B.W.J.; Lewis, R.A.; Morris, A.,
Gas-phase high temperature photoelectron spectroscopy: An investigation of the transition metals iron, cobalt, and nickel,
J. Phys. B:, 1982, 15, 4523. [all data]
Clements and Sale, 1976
Clements, P.J.; Sale, F.R.,
A mass spectrometric study of nickel tetracarbonyl, iron pentacarbonyl and binary mixtures of these compounds,
Metall. Trans. B:, 1976, 7, 171. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Thermochemistry of molecular FeO, FeO+ and FeO2,
Chem. Phys. Lett., 1975, 34, 352. [all data]
Moore, 1970
Moore, C.E.,
Ionization potentials and ionization limits derived from the analyses of optical spectra,
Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]
Loh, Lian, et al., 1988
Loh, S.K.; Lian, L.; Hales, D.A.; Armentrout, P.B.,
Collision - Induced Dissociation Processes of Nb4+ and Fe4+: Fission vs Evaporation,
J. Chem. Phys., 1988, 89, 1, 610, https://doi.org/10.1063/1.455455
. [all data]
Tecklenberg, Bricker, et al., 1988
Tecklenberg, R.E.; Bricker, D.L.; Russel, D.H.,
Laser - Ion Beam Photodissociation Studies of Ionic Cluster Fragments of Iron Carbonyls: Fe(x)(CO)y+ (x = 1 - 3; y = 0 - 6),
Organometallics, 1988, 7, 12, 2506, https://doi.org/10.1021/om00102a013
. [all data]
Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L.,
Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]
Drechsler, Boesl, et al., 1997
Drechsler, G.; Boesl, U.; Bassmann, C.; Schlag, E.W.,
Mass selected anion-zero kinetic energy photoelectron spectroscopy (anion-ZEKE): Ground and low excited states of FeO,
J. Chem. Phys., 1997, 107, 7, 2284-2291, https://doi.org/10.1063/1.474622
. [all data]
Engelking and Lineberger, 1977
Engelking, P.C.; Lineberger, W.C.,
Laser photoelecton spectrometry of FeO-: Electron affinity, electronic state separations, and ground state vibrations of iron oxide, and a new ground state assignment,
J. Chem. Phys., 1977, 66, 5054. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy T Temperature ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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