iron


Condensed phase 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.

Quantity Value Units Method Reference Comment
Δfliquid2.964kcal/molReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar8.308cal/mol*KReviewChase, 1998Data last reviewed in March, 1978

Liquid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 1809. to 3133.345
A 11.00000
B -4.504460×10-9
C 1.456680×10-9
D -1.587071×10-10
E -1.970870×10-9
F -2.582560
G 17.33770
H 2.962481
ReferenceChase, 1998
Comment Data last reviewed in March, 1978

Solid Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 700.700. to 1042.1042. to 1100.1100. to 1809.298. to 1809.
A 4.404561-13806.80-77.88860-185.64505.730041
B 5.88982132963.606.914140219.74201.999941
C -2.130430-29343.500.000000-91.710900.000066
D 2.3099209245.3200.00000013.64280-0.000021
E -0.003022954.369098.4615057.87211-0.000001
F -1.5709905754.940178.2560166.73600.064060
G 10.16130-20880.5057.80990-133.453014.83350
H 0.0000000.0000000.0000000.0000001.861381
ReferenceChase, 1998Chase, 1998Chase, 1998Chase, 1998Chase, 1998
Comment α-δ phase; Data last reviewed in March, 1978 α-δ phase; Data last reviewed in March, 1978 α-δ phase; Data last reviewed in March, 1978 α-δ phase; Data last reviewed in March, 1978 γ phase; Data last reviewed in March, 1978

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 as indicated in comments:
MS - José A. Martinho Simões
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. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CFeO (g) = Carbon monoxide (g) + iron (g)

By formula: CFeO (g) = CO (g) + Fe (g)

Quantity Value Units Method Reference Comment
Δr8.4 ± 3.5kcal/molFA-SIFTSunderlin, Wang, et al., 1992MS
Δr<39.0kcal/molN/AVenkataraman, Bandukwalla, et al., 1989Method: Velocity distributions of photofragments from Fe(CO)5.; MS
Δr21. ± 6.9kcal/molN/AEngelking and Lineberger, 1979Please also see Compton and Stockdale, 1976. Method: LPS and collision with low energy electrons.; MS

Iron ion (1+) + iron = (Iron ion (1+) • iron)

By formula: Fe+ + Fe = (Fe+ • Fe)

Quantity Value Units Method Reference Comment
Δr62.kcal/molCIDLoh, Lian, et al., 1988gas phase; M
Δr62.4kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; ΔrH>; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
64.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • iron) + iron = (Iron ion (1+) • 2iron)

By formula: (Fe+ • Fe) + Fe = (Fe+ • 2Fe)

Quantity Value Units Method Reference Comment
Δr55.6kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; ΔrH<; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
40.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 2iron) + iron = (Iron ion (1+) • 3iron)

By formula: (Fe+ • 2Fe) + Fe = (Fe+ • 3Fe)

Quantity Value Units Method Reference Comment
Δr41.5kcal/molCIDLoh, Lian, et al., 1988gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
51.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(FeO- • 4294967295iron) + iron = FeO-

By formula: (FeO- • 4294967295Fe) + Fe = FeO-

Quantity Value Units Method Reference Comment
Δr94.3 ± 4.0kcal/molN/ADrechsler, Boesl, et al., 1997gas phase; B
Δr94.3 ± 7.0kcal/molTherEngelking and Lineberger, 1977gas phase; B

C12Fe3O12 (cr) = 12Carbon monoxide (g) + 3iron (cr)

By formula: C12Fe3O12 (cr) = 12CO (g) + 3Fe (cr)

Quantity Value Units Method Reference Comment
Δr123.2 ± 2.8kcal/molTD-HFCConnor, Skinner, et al., 1973MS
Δr125.7 ± 3.0kcal/molHAL-HFCConnor, Skinner, et al., 1973MS

C6H4FeO4 (l) = 4Carbon monoxide (g) + iron (cr) + Ethylene (g)

By formula: C6H4FeO4 (l) = 4CO (g) + Fe (cr) + C2H4 (g)

Quantity Value Units Method Reference Comment
Δr46.0 ± 2.0kcal/molHAL-HFCBrown, Connor, et al., 1976MS
Δr44.31kcal/molTD-HFCBrown, Connor, et al., 1976MS

C9Fe2O9 (cr) = 9Carbon monoxide (g) + 2iron (cr)

By formula: C9Fe2O9 (cr) = 9CO (g) + 2Fe (cr)

Quantity Value Units Method Reference Comment
Δr99.4 ± 1.0kcal/molTD-HFCConnor, Skinner, et al., 1973MS
Δr98.8 ± 1.2kcal/molHAL-HFCConnor, Skinner, et al., 1973MS

(Iron ion (1+) • 3Carbon monoxide • 2iron) + Carbon monoxide = (Iron ion (1+) • 4Carbon monoxide • 2iron)

By formula: (Fe+ • 3CO • 2Fe) + CO = (Fe+ • 4CO • 2Fe)

Quantity Value Units Method Reference Comment
Δr56.9kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; ΔrH<; M

(Iron ion (1+) • 10iron) + iron = (Iron ion (1+) • 11iron)

By formula: (Fe+ • 10Fe) + Fe = (Fe+ • 11Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
79.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 11iron) + iron = (Iron ion (1+) • 12iron)

By formula: (Fe+ • 11Fe) + Fe = (Fe+ • 12Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
97.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 12iron) + iron = (Iron ion (1+) • 13iron)

By formula: (Fe+ • 12Fe) + Fe = (Fe+ • 13Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
67.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 13iron) + iron = (Iron ion (1+) • 14iron)

By formula: (Fe+ • 13Fe) + Fe = (Fe+ • 14Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
90.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 14iron) + iron = (Iron ion (1+) • 15iron)

By formula: (Fe+ • 14Fe) + Fe = (Fe+ • 15Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
76.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 15iron) + iron = (Iron ion (1+) • 16iron)

By formula: (Fe+ • 15Fe) + Fe = (Fe+ • 16Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
77.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 16iron) + iron = (Iron ion (1+) • 17iron)

By formula: (Fe+ • 16Fe) + Fe = (Fe+ • 17Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
74.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 17iron) + iron = (Iron ion (1+) • 18iron)

By formula: (Fe+ • 17Fe) + Fe = (Fe+ • 18Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
89.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 9iron) + iron = (Iron ion (1+) • 10iron)

By formula: (Fe+ • 9Fe) + Fe = (Fe+ • 10Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
73.6 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 3iron) + iron = (Iron ion (1+) • 4iron)

By formula: (Fe+ • 3Fe) + Fe = (Fe+ • 4Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
62.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 4iron) + iron = (Iron ion (1+) • 5iron)

By formula: (Fe+ • 4Fe) + Fe = (Fe+ • 5Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
75.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 5iron) + iron = (Iron ion (1+) • 6iron)

By formula: (Fe+ • 5Fe) + Fe = (Fe+ • 6Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
76.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 6iron) + iron = (Iron ion (1+) • 7iron)

By formula: (Fe+ • 6Fe) + Fe = (Fe+ • 7Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
60.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 7iron) + iron = (Iron ion (1+) • 8iron)

By formula: (Fe+ • 7Fe) + Fe = (Fe+ • 8Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
67.2 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • 8iron) + iron = (Iron ion (1+) • 9iron)

By formula: (Fe+ • 8Fe) + Fe = (Fe+ • 9Fe)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
67.9 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Iron ion (1+) • iron) + Carbon monoxide = (Iron ion (1+) • Carbon monoxide • iron)

By formula: (Fe+ • Fe) + CO = (Fe+ • CO • Fe)

Quantity Value Units Method Reference Comment
Δr58.6kcal/molPDissTecklenberg, Bricker, et al., 1988gas phase; ΔrH<; M

(CAS Reg. No. 64899-88-3 • 4294967295iron) + iron = CAS Reg. No. 64899-88-3

By formula: (CAS Reg. No. 64899-88-3 • 4294967295Fe) + Fe = CAS Reg. No. 64899-88-3

Quantity Value Units Method Reference Comment
Δr43.1 ± 7.0kcal/molN/AStevens, Feigerle, et al., 1983gas phase; B

C12FeO12Ru2 (cr) = 12Carbon monoxide (g) + iron (cr) + 2ruthenium (cr)

By formula: C12FeO12Ru2 (cr) = 12CO (g) + Fe (cr) + 2Ru (cr)

Quantity Value Units Method Reference Comment
Δr135. ± 2.4kcal/molTD-HFCBaev, Connor, et al., 1981MS

C12Fe2O12Ru (cr) = 12Carbon monoxide (g) + 2iron (cr) + ruthenium (cr)

By formula: C12Fe2O12Ru (cr) = 12CO (g) + 2Fe (cr) + Ru (cr)

Quantity Value Units Method Reference Comment
Δr118. ± 2.kcal/molTD-HFCBaev, Connor, et al., 1981MS

Gas phase ion energetics data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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 ± 0.0001eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)180.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity174.7kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.31 ± 0.20D-EAMiller, Miller, et al., 1993Acidity stronger than EtCO2H, comparable to HCO2H.; B
0.1510 ± 0.0030LPESLeopold and Lineberger, 1986B
0.164 ± 0.035LPESEngelking and Lineberger, 1979, 2B
0.140 ± 0.050LPESEngelking and Lineberger, 1976B
<0.25 ± 0.20EIAECompton and Stockdale, 1976From Fe(CO)5; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.92EIRussell, Solouki, et al., 1995LL
7.9024EVALLide, 1992LL
7.870SKelly, 1987LBLHLM
7.9023 ± 0.0001SSugar and Corliss, 1985LBLHLM
7.90PEDyke, Gravenor, et al., 1982LBLHLM
7.7 ± 0.2EIClements and Sale, 1976LLK
8.0 ± 0.5EIHildenbrand, 1975LLK
7.870SMoore, 1970RDSH

References

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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]

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]

Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y., High temperature microcalorimetric studies of the thermal decomposition and iodination of polynuclear carbonyls of Fe, Co, Ru, Rh, Re, Os and Ir, Faraday Symp. Chem. Soc., 1973, 8, 18, https://doi.org/10.1039/fs9730800018 . [all data]

Brown, Connor, et al., 1976
Brown, D.L.S.; Connor, J.A.; Leung, M.L.; Paz-Andrade, M.I.; Skinner, H.A., J. Organometal. Chem., 1976, 110, 79. [all data]

Stevens, Feigerle, et al., 1983
Stevens, A.E.; Feigerle, C.S.; Lineberger, W.C., Laser photoelectron spectroscopy of MnH- and FeH-: Electronic structures of the metal hydrides, identification of a low spin excited state of MnH, J. Chem. Phys., 1983, 78, 5420. [all data]

Baev, Connor, et al., 1981
Baev, A.K.; Connor, J.A.; El-Saied, N.I.; Skinner H.A., J. Organometal. Chem., 1981, 213, 151. [all data]

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, 2
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]

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]


Notes

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References