Iodine atom
- Formula: I
- Molecular weight: 126.90447
- IUPAC Standard InChIKey: ZCYVEMRRCGMTRW-UHFFFAOYSA-N
- CAS Registry Number: 14362-44-8
- Chemical structure:
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Gas phase thermochemistry data
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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 25.516 ± 0.01 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 25.516 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 43.2091 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 43.210 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Gas 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 1600. | 1600. to 6000. |
---|---|---|
A | 4.947481 | 3.464542 |
B | 0.083831 | 1.014540 |
C | -0.122624 | -0.173685 |
D | 0.061054 | 0.009734 |
E | 0.000426 | 0.861150 |
F | 24.04030 | 25.91360 |
G | 49.17861 | 48.69011 |
H | 25.51680 | 25.51680 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1982 | Data last reviewed in June, 1982 |
Reaction thermochemistry data
Go To: Top, Gas phase 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 as indicated in comments:
MS - José A. Martinho Simões
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
C12H4F3IO4W (g) + (g) = C12H4BrF3O4W (g) +
(g)
By formula: C12H4F3IO4W (g) + Br (g) = C12H4BrF3O4W (g) + I (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13. | kcal/mol | EqS | Fischer and Seitz, 1984 | The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CC6H4CF3)(I)(solution) + Br(-)(solution) = W(CO)4(CC6H4CF3)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS |
C12H7IO4W (g) + (g) = C12H7BrO4W (g) +
(g)
By formula: C12H7IO4W (g) + Br (g) = C12H7BrO4W (g) + I (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13. | kcal/mol | EqS | Fischer and Seitz, 1984 | The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CC6H4Me)(I)(solution) + Br(-)(solution) = W(CO)4(CC6H4Me)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS |
C11H5IO4W (g) + (g) = C11H5BrO4W (g) +
(g)
By formula: C11H5IO4W (g) + Br (g) = C11H5BrO4W (g) + I (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13. | kcal/mol | EqS | Fischer and Seitz, 1984 | The reaction enthalpy relies on a single measurement of the equilibrium constant in 1,1,2-trichloroethane (at 263 K) for the reaction W(CO)4(CPh)(I)(solution) + Br(-)(solution) = W(CO)4(CPh)(Br)(solution) + I(-)(solution), and on solvation and electron affinity data. It assumes that the reaction entropy is negligible Fischer and Seitz, 1984; MS |
By formula: (I2- • 4294967295I) + I = I2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.79 ± 0.17 | kcal/mol | N/A | Zanni, Taylor, et al., 1997 | gas phase; B |
By formula: C2H4ClI = I + Cl + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.5 ± 1.0 | kcal/mol | Kin | Minton, Felder, et al., 1984 | gas phase; ALS |
By formula: I (g) + H4Ge (g) = HI (g) + H3Ge (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 0.98 | kcal/mol | KinG | Noble and Walsh, 1983 | MS |
(g) + C3H10Ge (g) = C3H9Ge (g) +
(g)
By formula: I (g) + C3H10Ge (g) = C3H9Ge (g) + HI (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 ± 0.43 | kcal/mol | KinG | Doncaster and Walsh, 1979 | MS |
C4BrClO4Re + = C4BrIO4Re-
By formula: C4BrClO4Re + I = C4BrIO4Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >57.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4ClO4Re + = C4ClIO4Re-
By formula: C4ClO4Re + I = C4ClIO4Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >57.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4BrIMnO4 + = C4BrIMnO4-
By formula: C4BrIMnO4 + I = C4BrIMnO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55.00 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C4ClIMnO4 + = C4ClIMnO4-
By formula: C4ClIMnO4 + I = C4ClIMnO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55.00 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
C6H5O3Re + = C6H5IO3Re-
By formula: C6H5O3Re + I = C6H5IO3Re-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >57.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
CAS Reg. No. 121175-69-7 + = C6H5IMnO3-
By formula: CAS Reg. No. 121175-69-7 + I = C6H5IMnO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >57.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C5CrO5- + I = C5CrIO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >57.20 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C3NiO3- + I = C3INiO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55.00 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
By formula: C4FeO4- + I = C4FeIO4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >55.00 | kcal/mol | IMRB | Jones, McDonald, et al., 1989 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Gas 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:
B - John E. Bartmess
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
View reactions leading to I+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.45126 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 145.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 139.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
3.05900 ± 0.00010 | N/A | Pelaez, Blondel, et al., 2009 | Given: 3.0590463(38) eV; B |
3.059036 ± 0.000044 | LPD | Hanstorp and Gustafsson, 1992 | Given: 3.059038±0.000010 eV; B |
3.05917 ± 0.00039 | LOG | Webster, McDermid, et al., 1983 | B |
3.0620 ± 0.0020 | N/A | Neiger, 1975 | B |
3.060 ± 0.040 | N/A | Piani, Becucci, et al., 2008 | Stated electron affinity is the Vertical Detachment Energy; B |
3.0630 ± 0.0030 | N/A | Berry and Reimann, 1963 | B |
3.34476 | N/A | Check, Faust, et al., 2001 | Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.45126 | EVAL | Lide, 1992 | LL |
10.43 ± 0.05 | PI | Grade and Rosinger, 1985 | LBLHLM |
10.4 ± 0.1 | EI | Hoareau, Cabaud, et al., 1981 | LLK |
10.5 | EI | Pittermann and Weil, 1980 | LLK |
10.45 | PE | Imre and Koenig, 1980 | LLK |
10.43 ± 0.02 | PE | De Leeuw, Mooyman, et al., 1978 | LLK |
10.451 | S | Moore, 1970 | RDSH |
10.45126 | S | Minnhagen, 1962 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 314.350 ± 0.020 | kcal/mol | D-EA | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV; B |
ΔrH° | 313.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 309.280 ± 0.060 | kcal/mol | H-TS | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV; B |
ΔrG° | 308.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
References
Go To: Top, Gas 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.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Fischer and Seitz, 1984
Fischer, H.; Seitz, F.,
J. Organometal. Chem., 1984, 268, 247. [all data]
Zanni, Taylor, et al., 1997
Zanni, M.T.; Taylor, T.R.; Greenblatt, J.; Soep, B.; Neumark, D.M.,
Characterization of the I2- Anion Ground State Using Conventional and Femtosecond Photoelectron Spectroscopy,
J. Chem. Phys., 1997, 107, 19, 7613, https://doi.org/10.1063/1.475110
. [all data]
Minton, Felder, et al., 1984
Minton, T.K.; Felder, P.; Brudzynski, R.J.; Lee, Y.T.,
Photodissociation of 1,2-chloroiodoethane at 248 and 266 nm: The enthalpy of formation of CH2ClCH2I,
J. Chem. Phys., 1984, 81, 1759-1769. [all data]
Noble and Walsh, 1983
Noble, P.N.; Walsh, R.,
Kinetics of the gas phase reaction between iodine and monogermane and the bond dissociation energy D(H3Ge-H),
Int. J. Chem. Kinet., 1983, 15, 547. [all data]
Doncaster and Walsh, 1979
Doncaster, A.M.; Walsh, R.,
J. Phys. Chem., 1979, 83, 578. [all data]
Jones, McDonald, et al., 1989
Jones, M.T.; McDonald, R.N.; Schell, P.L.; Ali, M.H.,
Kinetics and Mechanism of Halogen Atom Transfer Reactions between Haloalkanes and Several 17-Electron Transition Metal Complex Negative Ions in the Gas Phase,
J. Am. Chem. Soc., 1989, 111, 16, 5983, https://doi.org/10.1021/ja00198a001
. [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]
Pelaez, Blondel, et al., 2009
Pelaez, R.J.; Blondel, C.; Delsart, C.; Drag, C.,
Pulsed photodetachment microscopy and the electron affinity of iodine,
J. Phys. B: Atom. Mol. Opt. Phys., 2009, 42, 12, 125001, https://doi.org/10.1088/0953-4075/42/12/125001
. [all data]
Hanstorp and Gustafsson, 1992
Hanstorp, D.; Gustafsson, M.,
Determination of the Electron Affinity of Iodine,
J. Phys. B: Atom. Mol. Opt. Phys., 1992, 25, 8, 1773, https://doi.org/10.1088/0953-4075/25/8/012
. [all data]
Webster, McDermid, et al., 1983
Webster, C.R.; McDermid, I.S.; Rettner, C.T.,
Laser optogalvanic photodetachment spectroscopy: A new technique for studying photodetachment thresholds with application to I-,
J. Chem. Phys., 1983, 78, 646. [all data]
Neiger, 1975
Neiger, M.,
Quantitative Investifgation of the Radiation of the Negative Iodine Ion,
Z. Naturfor., 1975, 30, 474. [all data]
Piani, Becucci, et al., 2008
Piani, G.; Becucci, M.; Bowen, M.S.; Oakman, J.; Hu, Q.; Continetti, R.E.,
Photodetachment and dissociation dynamics of microsolvated iodide clusters,
Phys. Scripta, 2008, 78, 5, 058110, https://doi.org/10.1088/0031-8949/78/05/058110
. [all data]
Berry and Reimann, 1963
Berry, R.S.; Reimann, C.W.,
Absorption Spectrum of Gaseous Fluoride and the Electron Affinities of the Halogen Atoms,
J. Chem. Phys., 1963, 38, 7, 1540, https://doi.org/10.1063/1.1776916
. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [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]
Grade and Rosinger, 1985
Grade, M.; Rosinger, W.,
Correlation of electronic structures and stabilities of gaseous FeI2, Fe2I2 and Fe2I4 molecules, solid [FeI2], and iodine adsorbed on [Fe],
Surf. Sci., 1985, 156, 920. [all data]
Hoareau, Cabaud, et al., 1981
Hoareau, A.; Cabaud, B.; Melinon, P.,
Time-of-flight mass spectroscopy of supersonic beam of metallic vapours: Intensities and appearance potentials of Mx aggregates,
Surf. Sci., 1981, 106, 195. [all data]
Pittermann and Weil, 1980
Pittermann, U.; Weil, K.G.,
Massenspektrometrische Untersuchungen an Silberhalogeniden V: Verdampfung von Silberiodid,
Ber. Bunsen-Ges. Phys. Chem., 1980, 84, 542. [all data]
Imre and Koenig, 1980
Imre, D.; Koenig, T.,
The He(I) photoelectron spectrum of atomic iodine by photodissociation of molecular iodine,
Chem. Phys. Lett., 1980, 73, 62. [all data]
De Leeuw, Mooyman, et al., 1978
De Leeuw, D.M.; Mooyman, R.; De Lange, C.A.,
He(I) photoelectron spectroscopy of halogen atoms,
Chem. Phys. Lett., 1978, 54, 231. [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]
Minnhagen, 1962
Minnhagen, L.,
The energy levels of neutral atomic iodine,
Ark. Fys., 1962, 21, 415. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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