Iodine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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
Δfgas14.92 ± 0.02kcal/molReviewCox, Wagman, et al., 1984CODATA Review value
Δfgas14.92kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
gas,1 bar62.306 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar62.306cal/mol*KReviewChase, 1998Data 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) 457.666 to 2000.2000. to 6000.
A 9.03385118.33990
B 0.053884-0.966965
C -0.218106-0.441717
D 0.2473500.052353
E -0.020035-19.69260
F 12.15790-12.87560
G 73.1166167.21479
H 14.9190014.91900
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1982 Data last reviewed in June, 1982

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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
Δfliquid3.231kcal/molReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
liquid,1 bar35.937cal/mol*KReviewChase, 1998Data last reviewed in June, 1982
Quantity Value Units Method Reference Comment
solid,1 bar27.758 ± 0.072cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
Quantity Value Units Method Reference Comment
solid27.758cal/mol*KReviewChase, 1998Data last reviewed in June, 1982

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) 386.75 to 457.666
A 19.28040
B 1.638540×10-8
C -2.085170×10-8
D 8.898500×10-9
E 1.131891×10-10
F -2.516210
G 59.26860
H 3.232080
ReferenceChase, 1998
Comment Data last reviewed in June, 1982

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 386.75
A -46.78860
B 219.6220
C -257.9450
D 127.7060
E 1.232410
F 10.34880
G -77.07409
H 0.000000
ReferenceChase, 1998
Comment Data last reviewed in June, 1982

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, References, Notes

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

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
311.9 to 456.3.358581039.159-146.589Stull, 1947Coefficents calculated by NIST from author's data.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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:
B - John E. Bartmess
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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.

Reactions 1 to 50

Iodide + Iodine = I3-

By formula: I- + I2 = I3-

Quantity Value Units Method Reference Comment
Δr32.5 ± 2.4kcal/molN/ATaylor, Asmis, et al., 1999gas phase; B
Δr30.1 ± 1.4kcal/molCIDTDo, Klein, et al., 1997gas phase; B
Δr85.10kcal/molTherFinch, Gates, et al., 1977gas phase; This value is far more bound than expected from other studies; B
Δr32.60kcal/molN/ACheck, Faust, et al., 2001gas phase; FeF3-(t); ; ΔS(EA)=2.8; B
Quantity Value Units Method Reference Comment
Δr22.50kcal/molN/ACheck, Faust, et al., 2001gas phase; FeF3-(t); ; ΔS(EA)=2.8; B

Dimanganese decacarbonyl (cr) + Iodine (cr) = 2Manganese, pentacarbonyliodo- (cr)

By formula: C10Mn2O10 (cr) + I2 (cr) = 2C5IMnO5 (cr)

Quantity Value Units Method Reference Comment
Δr-44.2 ± 2.1kcal/molPCHarel and Adamson, 1986The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -44.9 ± 2.0 kcal/mol Harel and Adamson, 1986, and from the solution enthalpies of Mn2(CO)10(cr), 8.60 ± 0.50 kcal/mol, I2(cr), 4.90 ± 0.1 kcal/mol, and Mn(CO)5(I)(cr), 6.4 ± 0.1 kcal/mol Harel and Adamson, 1986. The latter value refers to the solution in benzene and is therefore taken as an approximation; MS

Dirhenium decacarbonyl (cr) + Iodine (cr) = 2Rhenium, pentacarbonyliodo- (cr)

By formula: C10O10Re2 (cr) + I2 (cr) = 2C5IO5Re (cr)

Quantity Value Units Method Reference Comment
Δr-41.1 ± 4.3kcal/molPCHarel and Adamson, 1986The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -37.6 ± 3.8 kcal/mol, and from the solution enthalpies of Re2(CO)10(cr), 8.20 ± 0.50 kcal/mol, I2(cr), 4.90 ± 0.1 kcal/mol, and Re(CO)5(I)(cr), 8.3 ± 1.0 kcal/mol Harel and Adamson, 1986; MS

Hydrogen iodide + 1-Propene, 3-iodo- = Propene + Iodine

By formula: HI + C3H5I = C3H6 + I2

Quantity Value Units Method Reference Comment
Δr-7.96 ± 0.33kcal/molEqkRodgers, Golden, et al., 1966gas phase; ALS
Δr-9.5 ± 1.0kcal/molEqkRodgers, Golden, et al., 1966gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -8.33 ± 0.23 kcal/mol; At 527 K; ALS

Hydrogen iodide + Methane, iodo- = Methane + Iodine

By formula: HI + CH3I = CH4 + I2

Quantity Value Units Method Reference Comment
Δr-12.56 ± 0.13kcal/molEqkGolden, Walsh, et al., 1965gas phase; ALS
Δr-12.67 ± 0.05kcal/molEqkGoy and Pritchard, 1965gas phase; ALS
Δr-11.0 ± 1.3kcal/molCmNichol and Ubbelohde, 1952gas phase; ALS

C12H16Nb (cr) + 2Iodine (cr) = C10H10I2Nb (cr) + 2Methane, iodo- (l)

By formula: C12H16Nb (cr) + 2I2 (cr) = C10H10I2Nb (cr) + 2CH3I (l)

Quantity Value Units Method Reference Comment
Δr-57.91 ± 0.57kcal/molRSCDiogo, Simoni, et al., 1993The difference between the enthalpies of formation of Nb(Cp)2(I)2 and Nb(Cp)2(Me)2 is calculated as -51.41 ± 0.62 kcal/mol; MS

C20H26CoN5O4 (solution) + Iodine (solution) = C13H19CoIN5O4 (solution) + Benzene, (iodomethyl)- (solution)

By formula: C20H26CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + C7H7I (solution)

Quantity Value Units Method Reference Comment
Δr-15.1 ± 0.91kcal/molRSCToscano, Seligson, et al., 1989solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Bz)(cr) was measured as 2.70 kcal/mol Toscano, Seligson, et al., 1989; MS

C14H22CoN5O4 (solution) + Iodine (solution) = C13H19CoIN5O4 (solution) + Methane, iodo- (solution)

By formula: C14H22CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-22.2 ± 0.60kcal/molRSCToscano, Seligson, et al., 1989solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Me)(cr) was measured as 2.61 kcal/mol Toscano, Seligson, et al., 1989; MS

Hydromanganese pentacarbonyl (l) + Iodine (cr) = Hydrogen iodide (g) + Manganese, pentacarbonyliodo- (cr)

By formula: C5HMnO5 (l) + I2 (cr) = HI (g) + C5IMnO5 (cr)

Quantity Value Units Method Reference Comment
Δr-26. ± 2.kcal/molRSCConnor, Zafarani-Moattar, et al., 1982The reaction enthalpy relies on -6. ± 1. kcal/mol for the enthalpy of solution of HI(g) in benzene Connor, Zafarani-Moattar, et al., 1982.; MS

Ethylene + Iodine = Ethane, 1,2-diiodo-

By formula: C2H4 + I2 = C2H4I2

Quantity Value Units Method Reference Comment
Δr-11.5 ± 0.2kcal/molEqkAbrams and Davis, 1954gas phase; ALS
Δr-13.4 ± 0.5kcal/molEqkCutherbertson and Kistiakowsky, 1935gas phase; Heat of dissociation; ALS

Iodine + Chlorotrifluoromethane = Methane, trifluoroiodo- + Iodine monochloride

By formula: I2 + CClF3 = CF3I + ClI

Quantity Value Units Method Reference Comment
Δr17.27 ± 0.26kcal/molEqkLord, Goy, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 17.10 ± 0.17 kcal/mol; ALS

Hydrogen iodide + Cyclohexane, iodo- = Cyclohexane + Iodine

By formula: HI + C6H11I = C6H12 + I2

Quantity Value Units Method Reference Comment
Δr-7.8 ± 2.0kcal/molCmBrennan and Ubbelohde, 1956gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -6.8 ± 1.0 kcal/mol; ALS

Ethane, 1,1,1-trifluoro- + Iodine = Hydrogen iodide + 1,1,1-Trifluoro-2-iodoethane

By formula: C2H3F3 + I2 = HI + C2H2F3I

Quantity Value Units Method Reference Comment
Δr-15.3 ± 0.5kcal/molEqkWu and Rodgers, 1974gas phase; Heat of formation Unpublished results by B.J. Zwolinski; ALS

2-Bromo-1,1,1-trifluoroethane + Iodine = 1,1,1-Trifluoro-2-iodoethane + iodine bromide

By formula: C2H2BrF3 + I2 = C2H2F3I + BrI

Quantity Value Units Method Reference Comment
Δr6.6 ± 0.5kcal/molEqkBuckley, Ford, et al., 1980gas phase; GLC;hf298_gas[kcal/mol]=-166.8±1.1; Kolesov and Papina, 1983; ALS

Mercury, dimethyl- (l) + 2Iodine (cr) = 2Methane, iodo- (l) + Mercury diiodide (cr)

By formula: C2H6Hg (l) + 2I2 (cr) = 2CH3I (l) + HgI2 (cr)

Quantity Value Units Method Reference Comment
Δr-44.1 ± 0.2kcal/molRSCHartley, Pritchard, et al., 1950Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Dirhenium decacarbonyl (solution) + Iodine (solution) = 2Rhenium, pentacarbonyliodo- (solution)

By formula: C10O10Re2 (solution) + I2 (solution) = 2C5IO5Re (solution)

Quantity Value Units Method Reference Comment
Δr-37.6 ± 3.8kcal/molPCHarel and Adamson, 1986solvent: Cyclohexane; Please also see Adamson, Vogler, et al., 1978.; MS

Gallium trimethyl (l) + 3Iodine (cr) = GaI3 (cr) + 3Methane, iodo- (l)

By formula: C3H9Ga (l) + 3I2 (cr) = GaI3 (cr) + 3CH3I (l)

Quantity Value Units Method Reference Comment
Δr-47.8 ± 2.0kcal/molRSCFowell and Mortimer, 1958Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Gallium trimethyl (l) + 2Iodine (cr) = CH3GaI2 (cr) + 2Methane, iodo- (l)

By formula: C3H9Ga (l) + 2I2 (cr) = CH3GaI2 (cr) + 2CH3I (l)

Quantity Value Units Method Reference Comment
Δr-37.9 ± 1.0kcal/molRSCFowell and Mortimer, 1958Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

Hexamethylditin (l) + Iodine (cr) = 2C3H9ISn (l)

By formula: C6H18Sn2 (l) + I2 (cr) = 2C3H9ISn (l)

Quantity Value Units Method Reference Comment
Δr-44.00 ± 0.69kcal/molRSCPedley, Skinner, et al., 1957Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS

1,2-Diiodobutane = 1-Butene + Iodine

By formula: C4H8I2 = C4H8 + I2

Quantity Value Units Method Reference Comment
Δr12.0 ± 1.5kcal/molCmCline and Kistiakowsky, 1937gas phase; Heat of formation derived by Cox and Pilcher, 1970; ALS

Tungsten, tricarbonyl(η5-2,4-cyclopentadien-1-yl)hydro- (cr) + Iodine (solution) = Hydrogen iodide (solution) + C8H5IO3W (solution)

By formula: C8H6O3W (cr) + I2 (solution) = HI (solution) + C8H5IO3W (solution)

Quantity Value Units Method Reference Comment
Δr-16.1 ± 0.91kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

C15H12MoO3 (solution) + Iodine (solution) = C8H5IMoO3 (solution) + Benzene, (iodomethyl)- (solution)

By formula: C15H12MoO3 (solution) + I2 (solution) = C8H5IMoO3 (solution) + C7H7I (solution)

Quantity Value Units Method Reference Comment
Δr-28.8 ± 1.0kcal/molRSCNolan, de la Vega, et al., 1988solvent: Tetrahydrofuran; MS

C8H6MoO3 (cr) + Iodine (solution) = C8H5IMoO3 (solution) + Hydrogen iodide (solution)

By formula: C8H6MoO3 (cr) + I2 (solution) = C8H5IMoO3 (solution) + HI (solution)

Quantity Value Units Method Reference Comment
Δr-18.0 ± 0.60kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

C10MnO10Re (solution) + Iodine (solution) = Rhenium, pentacarbonyliodo- (solution) + Manganese, pentacarbonyliodo- (solution)

By formula: C10MnO10Re (solution) + I2 (solution) = C5IO5Re (solution) + C5IMnO5 (solution)

Quantity Value Units Method Reference Comment
Δr-55.7 ± 3.0kcal/molPCHarel and Adamson, 1986solvent: Cyclohexane; MS

C8H5MoNaO3 (solution) + Iodine (cr) = C8H5IMoO3 (solution) + Sodium iodide (cr)

By formula: C8H5MoNaO3 (solution) + I2 (cr) = C8H5IMoO3 (solution) + INa (cr)

Quantity Value Units Method Reference Comment
Δr-31.8 ± 1.3kcal/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; MS

1,2-Diiodotetrafluoroethane = Ethene, tetrafluoro- + Iodine

By formula: C2F4I2 = C2F4 + I2

Quantity Value Units Method Reference Comment
Δr16.6 ± 0.5kcal/molEqkWu, Pickard, et al., 1975gas phase; Spectrophotometery at 298.15°K; ALS

2Propyl mercaptan + Iodine = 2Hydrogen iodide + Disulfide, dipropyl

By formula: 2C3H8S + I2 = 2HI + C6H14S2

Quantity Value Units Method Reference Comment
Δr-29.85kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

21-Pentanethiol + Iodine = 2Hydrogen iodide + Disulfide, dipentyl

By formula: 2C5H12S + I2 = 2HI + C10H22S2

Quantity Value Units Method Reference Comment
Δr-29.85kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

1,4-Butanedithiol + Iodine = 2Hydrogen iodide + 1,2-Dithiane

By formula: C4H10S2 + I2 = 2HI + C4H8S2

Quantity Value Units Method Reference Comment
Δr-29.45kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

Octanoic acid, 6,8-dimercapto- + Iodine = 2Hydrogen iodide + Thioctic acid

By formula: C8H16O2S2 + I2 = 2HI + C8H14O2S2

Quantity Value Units Method Reference Comment
Δr-26.20kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

C22H36Zr (solution) + 2Iodine (solution) = C20H30I2Zr (solution) + 2Methane, iodo- (solution)

By formula: C22H36Zr (solution) + 2I2 (solution) = C20H30I2Zr (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-70.00 ± 0.60kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

1,3-Propanedithiol + Iodine = 2Hydrogen iodide + 1,2-Dithiolane

By formula: C3H8S2 + I2 = 2HI + C3H6S2

Quantity Value Units Method Reference Comment
Δr-25.75kcal/molCmSunner, 1955liquid phase; solvent: Ethanol/water(90/10); ALS

C12H16Zr (solution) + 2Iodine (solution) = C10H10I2Zr (solution) + 2Methane, iodo- (solution)

By formula: C12H16Zr (solution) + 2I2 (solution) = C10H10I2Zr (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-69.60 ± 0.60kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C22H30O2Zr (solution) + Iodine (solution) = C20H30I2Zr (solution) + 2Carbon monoxide (solution)

By formula: C22H30O2Zr (solution) + I2 (solution) = C20H30I2Zr (solution) + 2CO (solution)

Quantity Value Units Method Reference Comment
Δr-45.79 ± 0.41kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C22H36Hf (solution) + 2Iodine (solution) = C20H30HfI2 (solution) + 2Methane, iodo- (solution)

By formula: C22H36Hf (solution) + 2I2 (solution) = C20H30HfI2 (solution) + 2CH3I (solution)

Quantity Value Units Method Reference Comment
Δr-63.41 ± 0.79kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C37H30ClIrO3P2S (solution) + Iodine (solution) = C37H30ClI2IrOP2 (solution) + Sulfur dioxide (solution)

By formula: C37H30ClIrO3P2S (solution) + I2 (solution) = C37H30ClI2IrOP2 (solution) + O2S (solution)

Quantity Value Units Method Reference Comment
Δr-24.59 ± 0.1kcal/molRSCDrago, Nozari, et al., 1979solvent: Benzene; MS

Hydrogen iodide + Benzene, (iodomethyl)- = Toluene + Iodine

By formula: HI + C7H7I = C7H8 + I2

Quantity Value Units Method Reference Comment
Δr-7.8 ± 1.1kcal/molCmGraham, Nichol, et al., 1955liquid phase; solvent: p-Xylene; ALS

Hydrogen + 2Methane, iodo- = 2Methane + Iodine

By formula: H2 + 2CH3I = 2CH4 + I2

Quantity Value Units Method Reference Comment
Δr-30.0 ± 0.6kcal/molChydCarson, Carter, et al., 1961liquid phase; solvent: Ether; ALS

C20H32Zr (solution) + Iodine (solution) = C20H30I2Zr (solution) + Hydrogen (g)

By formula: C20H32Zr (solution) + I2 (solution) = C20H30I2Zr (solution) + H2 (g)

Quantity Value Units Method Reference Comment
Δr-73.90 ± 0.79kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C20H32Hf (solution) + Iodine (solution) = C20H30HfI2 (solution) + Hydrogen (g)

By formula: C20H32Hf (solution) + I2 (solution) = C20H30HfI2 (solution) + H2 (g)

Quantity Value Units Method Reference Comment
Δr-70.89 ± 0.69kcal/molRSCSchock and Marks, 1988solvent: Toluene; MS

C16H10O6W2 (cr) + Iodine (solution) = 2C8H5IO3W (solution)

By formula: C16H10O6W2 (cr) + I2 (solution) = 2C8H5IO3W (solution)

Quantity Value Units Method Reference Comment
Δr-34.99 ± 0.91kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

C16H10Mo2O6 (cr) + Iodine (solution) = 2C8H5IMoO3 (solution)

By formula: C16H10Mo2O6 (cr) + I2 (solution) = 2C8H5IMoO3 (solution)

Quantity Value Units Method Reference Comment
Δr-31.8 ± 1.0kcal/molRSCLandrum and Hoff, 1985solvent: Dichloromethane; MS

Dimanganese decacarbonyl (solution) + Iodine (solution) = 2Manganese, pentacarbonyliodo- (solution)

By formula: C10Mn2O10 (solution) + I2 (solution) = 2C5IMnO5 (solution)

Quantity Value Units Method Reference Comment
Δr-44.9 ± 2.0kcal/molPCHarel and Adamson, 1986solvent: Cyclohexane; MS

Iodide + Iodine = (Iodide • Iodine)

By formula: I- + I2 = (I- • I2)

Quantity Value Units Method Reference Comment
Δr24.0kcal/molN/ADowns and Adams, 1973gas phase; from ΔrH(f); M

Hydrogen + 2Ethane, iodo- = 2Ethane + Iodine

By formula: H2 + 2C2H5I = 2C2H6 + I2

Quantity Value Units Method Reference Comment
Δr-21.2 ± 0.80kcal/molChydAshcroft, Carson, et al., 1965liquid phase; ALS

2Propane, 2-iodo- + Mercury diiodide = C6H14Hg + 2Iodine

By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2

Quantity Value Units Method Reference Comment
Δr57.92 ± 0.46kcal/molCmMortimer, Pritchard, et al., 1952liquid phase; ALS

2Propane, 1-iodo- + Mercury diiodide = C6H14Hg + 2Iodine

By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2

Quantity Value Units Method Reference Comment
Δr51.56 ± 0.58kcal/molCmMortimer, Pritchard, et al., 1952liquid phase; ALS

Hydrogen iodide + Methylsulfenyliodide = Methanethiol + Iodine

By formula: HI + CH3IS = CH4S + I2

Quantity Value Units Method Reference Comment
Δr-2.88 ± 0.54kcal/molEqkShum and Benson, 1983gas phase; ALS

Acetone + Iodine = Hydrogen iodide + 1-iodoacetone

By formula: C3H6O + I2 = HI + C3H5IO

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.2kcal/molEqkSolly, Golden, et al., 1970gas phase; ALS

Iodine + Bromotrifluoromethane = Methane, trifluoroiodo- + iodine bromide

By formula: I2 + CBrF3 = CF3I + BrI

Quantity Value Units Method Reference Comment
Δr9.55 ± 0.03kcal/molEqkLord, Goy, et al., 1967gas phase; ALS

Henry's Law 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 by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
3.04400.RN/A 
1.1 CN/A missing citation quote a paper as the source that gives only the solubility but not the Henry's law constant.
3.34800.TN/A 
3.14600.RN/A 

Gas phase ion energetics 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 evaluated as indicated in comments:
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 I2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.3074 ± 0.0002eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.5240 ± 0.0050LPESZanni, Taylor, et al., 1997B
2.52 ± 0.10NBIEAuerbach, Baeda, et al., 1973B
2.42 ± 0.20EndoHughes, Lifschitz, et al., 1973B
2.58 ± 0.10EndoChupka, Berkowitz, et al., 1971B
2.60 ± 0.10EIAEDeCorpo and Franklin, 1971From CHI3; B
2.40 ± 0.10NBIEMoutinho, Aten, et al., 1971B
2.33004ECDAyala, Wentworth, et al., 1981Vertical Detachment Energy: 1.7 eV; B
1.722 ± 0.050NBIEHubers, Kleyn, et al., 1976Stated electron affinity is the Vertical Detachment Energy; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.3074 ± 0.0002TECockett, Donovan, et al., 1996LL
9.3074 ± 0.0002TECockett, Goode, et al., 1995LL
9.33PECarlson, Gerard, et al., 1988LL
9.29 ± 0.05PIGrade and Rosinger, 1985LBLHLM
9.3 ± 0.2EIGrade and Rosinger, 1985LBLHLM
9.3 ± 0.2EIGrade and Rosinger, 1984LBLHLM
9.3 ± 0.2EIGrade, Rosinger, et al., 1984LBLHLM
9.3 ± 0.05EIHoareau, Cabaud, et al., 1981LLK
9.5EIPittermann and Weil, 1980LLK
9.311 ± 0.002PEHigginson, Lloyd, et al., 1973LLK
9.22 ± 0.01PEPotts and Price, 1971LLK
~9.37PIDibeler, Walker, et al., 1971LLK
9.3995 ± 0.0012SVenkateswarlu, 1970RDSH
9.331PIMyer and Samson, 1970RDSH
9.356PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.34PECornford, Frost, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
I+8.8 ± 0.2I-EIGrade and Rosinger, 1985LBLHLM
I+11.94 ± 0.15IPIGrade and Rosinger, 1985LBLHLM
I+8.83 ± 0.07I-PIGrade and Rosinger, 1985LBLHLM
I+8.9 ± 0.2I-EIGrade and Rosinger, 1984LBLHLM
I+8.8 ± 0.2I-EIGrade, Rosinger, et al., 1984LBLHLM
I+13.0IEIPittermann and Weil, 1980LLK
I+8.922 ± 0.013I-PIMyer and Samson, 1970RDSH
I+8.95 ± 0.02I-PIMorrison, Hurzeler, et al., 1960RDSH
I+8.83 ± 0.02I-PIWatanabe, 1957RDSH

Ion clustering 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:
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

Iodide + Iodine = (Iodide • Iodine)

By formula: I- + I2 = (I- • I2)

Quantity Value Units Method Reference Comment
Δr24.0kcal/molN/ADowns and Adams, 1973gas phase; from ΔrH(f); M

Iodide + Iodine = I3-

By formula: I- + I2 = I3-

Quantity Value Units Method Reference Comment
Δr32.5 ± 2.4kcal/molN/ATaylor, Asmis, et al., 1999gas phase; B
Δr30.1 ± 1.4kcal/molCIDTDo, Klein, et al., 1997gas phase; B
Δr85.10kcal/molTherFinch, Gates, et al., 1977gas phase; This value is far more bound than expected from other studies; B
Δr32.60kcal/molN/ACheck, Faust, et al., 2001gas phase; FeF3-(t); ; ΔS(EA)=2.8; B
Quantity Value Units Method Reference Comment
Δr22.50kcal/molN/ACheck, Faust, et al., 2001gas phase; FeF3-(t); ; ΔS(EA)=2.8; B

I3- + Iodine = (I3- • Iodine)

By formula: I3- + I2 = (I3- • I2)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.4kcal/molCIDTDo, Klein, et al., 1997gas phase; B

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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 compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through January, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 127I2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
The absorption spectrum from 450000 to 870000 cm-1 (55.8 to 107.9 eV) at low resolution has been described by Myer and Samson, 1970. It corresponds to excitation from 4d shell to various unfilled orbitals.
Comes, Nielsen, et al., 1973
The absorption spectrum in the VUV region at high resolution has most recently been photographed by Venkateswarlu, 1970 who gives an extensive table of observed features in the region 56500 - 75800 cm-1. Most of the bands are assigned to extended Rydberg series converging to a common limit at 75814 cm-1 (9.400 eV), a smaller number to fragments of series converging to 80895 cm-1 (10.03 eV). The limits are assumed to correspond to v=0 of X 2 Πg, 3/2 and 1/2, respectively, of I2+; see, however, 1. Several of the progressions observed in absorption Venkateswarlu, 1970 appear to correspond to emission bands recorded by Haranath and Rao, 1958 under medium resolution in the region 56000 - 68000 cm-1 and classified by them as belonging to twelve systems. See also Cordes, 1935 Myer and Samson, 1970*.
Haranath and Rao, 1958; missing citation
I (51973) 2 112.4 H 0.705 0.004       I → (B) 2 R 36197 H
Venkateswarlu, 1951; Verma, 1959; Mulliken, 1971
(H) (46063) 103.7 H 0.095        (H → B) 3 R 30283 H
Verma, 1959; Mulliken, 1971
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F (1Σu+) 6 47217.8 95.955 H 0.3623       (3.6) 4 F ↔ X 5 R 47158.6 H
Verma, 1959; Mulliken, 1971; missing citation
F' 45230 93.4 H 0.6        F' → X 7 R 45169 H
Haranath and Rao, 1958
G' (3Π1g) 9 (42300) 8          G' ← A 
Skorko, 1933; Mulliken, 1971
E 3Πo+g 9 41411.4 101.59 H 0.2380       (3.65) E → B 10 R 25630.5 H
Haranath and Rao Prasada, 1960; Mulliken, 1971; Wieland, Tellinghuisen, et al., 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D 1Σu+ 13 (40679) 104.41 H 0.2343 11 0.00045       D ↔ X 12 R (40624)
missing citation; Mulliken, 1971; Mulliken, 1971
G 3Π2g 9 (40300) 14          G ← A' 15 
Skorko, 1933; Mulliken, 1971
C 3Σ1u+ 13 16          C ← X 
Kortum and Friedheim, 1947; Mathieson and Rees, 1956; Mulliken, 1971
B" 1Π1u 19 17          B" ↔ X 18 
Oldman, Sander, et al., 1971; Tellinghuisen, 1973; Brown and Burns, 1974
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B' 3Π0-u 19 20           
B 3Π0+u 19 15769.01 125.697 Z 0.7642 21 22  0.029039 23 24 0.0001582 25 22  5.43E-9 26 0.30E-9 3.0247 B ↔ X 18 27 28 R 15724.57 29 Z
Barrow and Yee, 1973; missing citation; Wei and Tellinghuisen, 1974
A 3Π1u 19 (11888) (44.0) 30 H (1.0)  30      A ← X 31 R (11803) 30
Brown, 1931; Tellinghuisen, 1973
A' 3Π2u 19 (10100) 32           
X 1Σg+ 0 214.502 33 Z 0.6147 33  0.037372 33 34 0.0001138 33  4.25E-9 35 3.2E-10 2.6663 36  
Kiefer and Bernstein, 1972; Williams, Rousseau, et al., 1974

Notes

1From the photoelectron spectrum Potts and Price, 1971, Higginson, Lloyd, et al., 1973; adiabatic potential established by temperature variation. The same method yields 9.953 eV for the ionization potential to 2Π1/2g(v=0). Neither result agrees with the values obtained by Venkateswarlu, 1970 from Rydberg series, i.e. 9.400 and 10.03 eV. The discrepancy could be understood if the Rydberg series were to correspond to v'=3, but the absence of series with v' = 0, 1, 2 would still be puzzling.
2Weak emission bands in the presence of foreign gases, 2785-2731 . Te is based on the assumption that the lower state is the B state, but Mulliken, 1971, has suggested that instead it may be the D state leading to Te ~ 76872 cm-1 Mulliken, 1971.
3Strong emission bands in the presence of foreign gases, 3460 - 3015 Angstroms. It is by no means certain that the lower state has been correctly identified as the B state. Mulliken, 1971, suggests that the bands arise from the transition G → A'.
4From the intensity distribution and Franck-Condon principle Mulliken, 1971, Wieland, Tellinghuisen, et al., 1972.
5In emission in electric discharges in the presence of foreign gases, 2740 - 2490 . Also observed for 129 I2, confirming the vibrational numbering. Emission bands in the region 2240 - 1950 Angstroms are assigned by Haranath and Rao, 1958, to a separate system (called H → X), with v00 = 48072 and w ~ 79. It seems, however, possible that these bands belong to F → X.
6Configuration...σg2πu3πg3σu2.
7The analysis of this fairly extensive system [2400 - 2240 , called E → X by Haranath and Rao, 1958] is not yet supported by isotope studies, nor is it seen in absorption.
8Suggested upper state of high temperature absorption "continuum" shortward of 3263 (30640 cm-1)
9Configuration...σgπu4πg3σu2.
10Emission bands in the presence of foreign gases, 4400 - 4000 . Also observed for 129I2, confirming the vibrational numbering. The E → B fluorescence spectrum following two-photon absorption Rousseau and Williams, 1974, consists of transitions both to the discrete and to the continuous part of B, the latter giving rise to diffuse bands ("structured" continuum) Tellinghuisen, 1975. From a comparison of the calculated with the observed intensity distribution Tellinghuisen, 1975, obtains the potential function of E as well as the variation of the transition moment with r. The lifetime of E → B is 27 ns Rousseau, 1975 confirming that this is an allowed transition and that the E state is 3Π0+g.
11The v' numbering is uncertain and, therefore, the vibrational constants are subject to change.
12The system includes the absorption bands of Pringsheim and Rosen, 1928, Kimura and Miyanishi, 1929, Cordes, 1935, remeasured by Nobs and Wieland, 1966. It also includes the resonance series of Verma, 1960 in the region 1830 - 2370 which arise from very high vibrational levels (v' ~ 195), of the D state excited by the 1830 atomic line of iodine. The system further includes the diffuse emission bands in the region 2500 - 5000 with a characteristic group near 3250 [McLennan bands McLennan, 1913]. The diffuse bands have been recognized by Mulliken, 1971, to correspond to transitions from D to the continuum of X [Condon diffraction bands, see also Tellinghuisen, 1974]. Earlier summaries Mathieson and Rees, 1956, Haranath and Rao, 1958, Venkateswarlu, 1970 gave an electronic state at Te = 51427.9 with ωe = 169.41, ωexe = 0.941, ωeye = +0.0022 which was to represent the Cordes absorption bands from 1950 to 1795 Cordes, 1935. Following Mulliken, 1971, Mulliken, 1971, we consider these bands as part of D ← X.
13Configuration . . . σgπu4πg4σu.
14Suggested upper state of high temperature absorption "continuum" shortward of 3427 (29170 cm-1)
15The G →A' transition has been observed to lase strongly when mixtures of HI or CF3I or CH3I with argon (1000 - 4000 torr), are excited by a pulsed high current electron beam Hays, Hoffman, et al., 1976. See also H → B footnote 3.
16Repulsive state from 2P3/2 + 2P1/2 responsible for a weak but broad absorption continuum with maximum at 2700 (37000 cm-1). 38
17Repulsive state from 2P3/2 + 2P3/2, responsible for absorption continuum with maximum at 20050 cm-1 and for the predissociation of B 3Π0+u.
18f values based on magnetic circular dichroism spectra have been estimated as 0.0018 (B"←X) and 0.009 (B ←X) and have been compared with earlier results Brith, Rowe, et al., 1975. For a comparison of theoretical and observed intensities in the B → X resonance series see Zare, 1964.
19Configuration . . . σg2πu4πg3σu.
20Repulsive state from 2P3/2 + 2P3/2. The previous assignment of B' as the state responsible for the magnetic field induced predissociation of B is now in doubt; See 23.
21-0.00178(v +1/2)3 - 0.0000738(v+1/2)4 + 0.00000103(v+1/2)5, from levels with 4≤v≤50 Barrow and Yee, 1973.
22Somewhat different constants, valid for 4≤v≤77, are given by Wei and Tellinghuisen, 1974, Te = 15768.32, ωe = 126.165, ωexe = 0.8673, ..., Be = 0.028939, αe = 0.0001204, ... (using calculated Dv values); see also Brown, Burns, et al., 1973, Tellinghuisen, 1976. RKR potential curve Barrow and Yee, 1973. For a discussion of the long-range potential and ΔG, Bv values near the dissociation limit see LeRoy and Bernstein, 1971, LeRoy, 1972, Barrow and Yee, 1973, Le Roy, 1973, Yee, 1973, LeRoy, 1974.
23Collision induced predissociation of the B state missing citation; magnetic field induced predissociation Degenkolb, Steinfeld, et al., 1969, Capelle and Broida, 1972, Chapman and Bunker, 1972; spontaneous predissociation Tellinghuisen, 1972; hyperfine predissociation Broyer, Vigue, et al., 1976. The purely radiative lifetime Brewer and Tellinghuisen, 1972, Tellinghuisen, 1972, Broyer, Vigue, et al., 1976, increases smoothly from τ= 0.91 μs at v=7 to approximately τ= 10 μs at the highest observed levels. The measured lifetimes Brewer and Tellinghuisen, 1972, missing citation, Capelle and Broida, 1973, Keller, Broyer, et al., 1973, Paisner and Wallenstein, 1974, Broyer, Vigue, et al., 1975 are considerably reduced by spontaneous predissociation due to rotational and hyperfine mixing with B" 1Π1u, the latter leading to differences in lifetime between ortho and para levels Broyer, Vigue, et al., 1976. Only near v=12 and above v~50 are the actual lifetimes close to the purely radiative ones. The magnetic field-induced predissociation of B 3Π0+u was previously assumed to be caused by B' 3Π0-u, and a potential function for this latter state was derived from magnetic quenching data Chapman and Bunker, 1972, Child, 1973. The recent observation, however, of a quantum interference effect between magnetic and spontaneous predissociations Broyer, Vigue, et al., 1973, Vigue, Broyer, et al., 1974, Vigue, Broyer, et al., 1975 has established that the magnetic predissociation, too, is produced by the B" 1Π1u state.
24gJ varies from -0.059 at low v to -5.45 μN near the dissociation limit; from Hanle effect observations Broyer and Lehmann, 1972, Broyer, Lehmann, et al., 1975, Gouedard, Broyer, et al., 1976, Gouedard, Broyer, et al., 1976, 2. See also Wallenstein, Paisner, et al., 1974.
25-3.36E-7(v+1/2)2 - 4.78E-8(v+1/2)3 + 3.26E-10(v+1/2)4, from levels with 4≤v≤77 Barrow and Yee, 1973.
26For v ≤ 10 Barrow and Yee, 1973. Dv increases rapidly above v=20; for more details see Brown, Burns, et al., 1973, Wei and Tellinghuisen, 1974.
27The continuum joining onto the discrete bands is overlapped by the B"← X continuum. A resolution of these two continua and the A ←X continuum was given by Tellinghuisen, 1973,. See also Tellinghuisen, 1973, 2.
28The hyperfine structure of several lines has been observed by various high resolution laser techiques; electric quadrupole, magnetic octupole, and other magnetic hfs constants have been evaluated Hanes and Dahlstrom, 1969, Kroll, 1969, Hansch, Levenson, et al., 1971, Hanes, Lapierre, et al., 1971, Sorem, Levenson, et al., 1971, Levenson and Schawlow, 1972, Sorem, Hansch, et al., 1972, Youmans, Hackel, et al., 1973, Ruben, Kukolich, et al., 1973, Bunker and Hanes, 1974, missing citation; similar analyses for 129I2 and 127,129I2 Tesic and Pao, 1975.
29Extrapolated from data with v' ≥ 4. The vibrational numbering, changed Steinfeld, Zare, et al., 1965, by 1 from the previous table in MOLSPEC 1, has been confirmed by isotope studies Brown and James, 1965.
30 Tellinghuisen, 1973, suggests that the v'=4 numbering of Brown, 1931, may have to be raised substantially. Preliminary results of a rotational analysis Ashby, 1975, of nine bands in the A ←X, v"=5 progression and of three bands in the v"=4 progression indicate that w' ~ 57.5 Ashby, 1975, w'x' ~ 1.85 Ashby, 1975, B'(for the lowest analyzed level) = 0.02375 Ashby, 1975, α' ~ 0.0005 Ashby, 1975.
31The continuum joining onto the discrete bands has been studied by many investigators, most recently by Tellinghuisen, 1973, who derives an f value of f= 0.00062 Tellinghuisen, 1973; see also Brith, Rowe, et al., 1975.
32Suggested as lower state of high temperature absorption bands near 3427 Mulliken, 1971 Mulliken, 1971.
33These constants Barrow and Yee, 1973, represent the levels v=0-5; Wei and Tellinghuisen, 1974, for v=0-6, give ωe = 214.582, ωexe = 0.6243, Be = 0.037363, αe = 0.0001145 using calculated Dv values. On the basis of the resonance series of Rank and Baldwin, 1951, Rank and Rao, 1964 and Verma, 1960, LeRoy, 1970 has given polynomial formulae for G(v), Bv, and Dv valid up to v = 82; ωe = 214.548, ωexe = 0.6163 , ...Be = 0.037395, αe = 0.0001244, ... ,De = 4.54E-9, βe = 0.017E-9;... The most accurate constants for v = 0 were derived Gerstenkorn, Luc, et al., 1977 from the analysis by means of Fourier transform spectroscopy of the B←X, 30-0 bands: B0 = 0.0373115, D0 = 4.55E-9, H0 = -0.76E-15. The vibrational levels of the ground state have been observed up to v = 84 [D → X resonance series Verma, 1960], i.e. to within 400 cm-1 of the dissociation limit. The levels v" = 98...115 originally reported by Verma, 1960, were found to be due to an NO impurity Verma and LeRoy, 1974. As a consequence the RKR potential function of Verma, 1960, must be corrected at high v. The RKR curves of Zare, 1964 and LeRoy, 1970 extend only to v = 82 and are unaffected by this correction. 35 see 33.
34gJ(v=0, J=12,14)=9.l3E-4 μN Solarz and Levy, 1972 from non-linear level crossing.
35missing note
36Raman sp. 39
37From the convergence of the vibrational levels in the B 3Π0+u state Barrow, Broyd, et al., 1973, Barrow and Yee, 1973.
38Nature of the upper state (1u) and of the dissociation products confirmed by photofragment spectroscopy Clear and Wilson, 1973.
39High resolution resonance Raman spectra of I2 vapor up to the eleventh overtone (12-0). Raman spectra in rare gas matrices Howard and Andrews, 1974.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Constants of diatomic molecules, 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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Taylor, Asmis, et al., 1999
Taylor, T.R.; Asmis, K.R.; Zanni, M.T.; Neumark, D.M., Characterization of the I-3 radical by anion photoelectron spectroscopy, J. Chem. Phys., 1999, 110, 16, 7607-7609, https://doi.org/10.1063/1.478672 . [all data]

Do, Klein, et al., 1997
Do, K.; Klein, T.P.; Pommerening, C.A.; Sunderlin, L.S., A New Flowing Afterglow-Guided Ion Beam Tandem Mass Spectrometer. Applications to the Thermochemistry of Polyiodide Ions, J. Am. Soc. Mass Spectrom., 1997, 8, 7, 688, https://doi.org/10.1016/S1044-0305(97)00116-5 . [all data]

Finch, Gates, et al., 1977
Finch, A.; Gates, P.N.; Peake, S.J., Thermochemistry of polyhalides. III. Cesium and rubidium tetrachloroiodates, J. Inorg. Nucl. Chem., 1977, 39, 2135. [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]

Harel and Adamson, 1986
Harel, Y.; Adamson, A.W., J. Phys. Chem., 1986, 90, 6693. [all data]

Rodgers, Golden, et al., 1966
Rodgers, A.S.; Golden, D.M.; Benson, S.W., The thermochemistry of the gas phase equilibrium I2 + C3H6 = C3H5I + HI, J. Am. Chem. Soc., 1966, 88, 3194-3196. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Golden, Walsh, et al., 1965
Golden, D.M.; Walsh, R.; Benson, S.W., The thermochemistry of the gas phase equilibrium I2 + CH4 «=» CH3I + HI and the heat of formation of the methyl radical, J. Am. Chem. Soc., 1965, 87, 4053-4057. [all data]

Goy and Pritchard, 1965
Goy, C.A.; Pritchard, H.O., Kinetics and thermodynamics of the reaction between iodine and methane and the heat of formation of methyl iodide, J. Phys. Chem., 1965, 69, 3040-3041. [all data]

Nichol and Ubbelohde, 1952
Nichol, R.J.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. part II. Bond strengths based on the reaction CH3I + HI = CH4 + I2, J. Am. Chem. Soc., 1952, 415-421. [all data]

Diogo, Simoni, et al., 1993
Diogo, H.P.; Simoni, J.A.; Minas da Piedade, M.E.; Dias, A.R.; Martinho Simões, J.A., J. Am. Chem. Soc., 1993, 115, 2764. [all data]

Toscano, Seligson, et al., 1989
Toscano, P.J.; Seligson, A.L.; Curran, M.T.; Skrobutt, A.T.; Sonnenberger, D.C., Inorg. Chem., 1989, 28, 166; ibid. 1989. [all data]

Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A., Organomet., 1982, 1, 1166. [all data]

Abrams and Davis, 1954
Abrams, A.; Davis, T.W., Use of radioactive iodine to determine equilibrium constants in ethylene-iodine-1,2-diiodoethane systems, J. Am. Chem. Soc., 1954, 76, 5993-59. [all data]

Cutherbertson and Kistiakowsky, 1935
Cutherbertson, G.R.; Kistiakowsky, G.B., The thermal equilibrium between ethylene iodide, ethylene and iodine, J. Chem. Phys., 1935, 3, 631-634. [all data]

Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O., The heats of formation of trifluoromethyl chloride and bromide, J. Phys. Chem., 1967, 71, 2705-2707. [all data]

Brennan and Ubbelohde, 1956
Brennan, D.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. Part IV. Bond-strength differences based on the reaction: RI + HI = RH + I2, where R = p-methoxyphenyl and cyclohexyl, J. Chem. Soc., 1956, 3011-3016. [all data]

Wu and Rodgers, 1974
Wu, E.; Rodgers, A.S., Thermochemistry of gas-phase equilibrium CF3CH3 + I2 = CF3CH2I + HI. The carbon-hydrogen bond dissociation energy in 1,1,1-trifluoroethane and the heat of formation of the 2,2,2-trifluoroethyl radical, J. Phys. Chem., 1974, 78, 2315-2317. [all data]

Buckley, Ford, et al., 1980
Buckley, G.S.; Ford, W.G.F.; Rodgers, A.S., The thermochemistry of the gas phase reaction: CF3CH2Br + I2 = CF3CH2I + IBr. Polarity effects in thermochemistry, Thermochim. Acta, 1980, 42, 349-355. [all data]

Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S., Thermochemistry of Haloethanes, Russ. Chem. Rev., 1983, 52, 425. [all data]

Hartley, Pritchard, et al., 1950
Hartley, K.; Pritchard, H.O.; Skinner, H.A., Thermochemistry of metallic alkyls. III.?mercury dimethyl and mercury methyl halides, Trans. Faraday Soc., 1950, 46, 1019, https://doi.org/10.1039/tf9504601019 . [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds in Academic Press, New York, 1970. [all data]

Adamson, Vogler, et al., 1978
Adamson, A.W.; Vogler, A.; Kunkely, H.; Wachter, R., J. Am. Chem. Soc., 1978, 100, 1298. [all data]

Fowell and Mortimer, 1958
Fowell, P.A.; Mortimer, C.T., J. Chem. Soc., 1958, 3734.. [all data]

Pedley, Skinner, et al., 1957
Pedley, J.B.; Skinner, H.A.; Chernick, C.L., Thermochemistry of metallic alkyls. Part 8.?Tin tetramethyl, and hexamethyl distannane, Trans. Faraday Soc., 1957, 53, 1612, https://doi.org/10.1039/tf9575301612 . [all data]

Cline and Kistiakowsky, 1937
Cline, J.E.; Kistiakowsky, G.B., The gaseous equilibrium of 1,2-diiodobutane, butene-1 and iodine, J. Chem. Phys., 1937, 5, 990. [all data]

Landrum and Hoff, 1985
Landrum, J.T.; Hoff, C.D., J. Organometal. Chem., 1985, 282, 215. [all data]

Nolan, de la Vega, et al., 1988
Nolan, S.P.; de la Vega, R.L.; Mukerjee, S.L.; Gonzalez, A.A.; Zhang, K.; Hoff, C., Polyhedron, 1988, 7, 1491. [all data]

Nolan, López de la Vega, et al., 1986
Nolan, S.P.; López de la Vega, R.; Hoff, C.D., J. Organometal. Chem., 1986, 315, 187. [all data]

Wu, Pickard, et al., 1975
Wu, E.C.; Pickard, J.M.; Rodgers, A.S., Thermochemistry of the gas-phase reaction tetrafluoroethylene + iodine = 1,2-diiodoperfluoroethane. Heat of formation of 1,2-diiodoperfluoroethane and of iodoperfluoroethane, J. Phys. Chem., 1975, 79, 1078-1081. [all data]

Sunner, 1955
Sunner, S., Strain in 6,8-thioctic acid, Nature (London), 1955, 176, 217. [all data]

Schock and Marks, 1988
Schock, L.E.; Marks, T.J., J. Am. Chem. Soc., 1988, 110, 7701. [all data]

Drago, Nozari, et al., 1979
Drago, R.S.; Nozari, M.S.; Klinger, R.J.; Chamberlain, C.S., Inorg. Chem., 1979, 18, 1254. [all data]

Graham, Nichol, et al., 1955
Graham, W.S.; Nichol, R.J.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. Part III. Bond strengths based on the reactions: (a) Ph·CH2I + HI=Ph·CH3 + I2 and (b) PhI + HI=PhH + I2, J. Chem. Soc., 1955, 115-121. [all data]

Carson, Carter, et al., 1961
Carson, A.S.; Carter, W.; Pedley, J.B., The thermochemistry of reductions caused by lithium aluminium hydride I. The C-I bond dissociation energy in CH3I, Proc. Roy. Soc. London A, 1961, 260, 550-557. [all data]

Downs and Adams, 1973
Downs, A.J.; Adams, G.J., Comprehensive Inorganic Chemistry, J. C. Bailar, H. J. Emeleus, R. Nyholm and A. F. Trotman - Dickerson, ed(s)., Pergamon Press, New York, 1973, 1543. [all data]

Ashcroft, Carson, et al., 1965
Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G., Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide, Trans. Faraday Soc., 1965, 61, 225-229. [all data]

Mortimer, Pritchard, et al., 1952
Mortimer, C.T.; Pritchard, H.O.; Skinner, H.A., Thermochemistry of metallic alkyls. Part V - Mercury di-propyl and mercury di-isopropyl, Trans. Faraday Soc., 1952, 48, 220-229. [all data]

Shum and Benson, 1983
Shum, L.G.S.; Benson, S.W., Thermochemnistry and kinetics of the reaction of methyl mercaptan with iodine, Int. J. Chem. Kinet., 1983, 15, 433-453. [all data]

Solly, Golden, et al., 1970
Solly, R.K.; Golden, D.M.; Benson, S.W., Thermochemical properties of iodoacetone. Intramolecular electrostatic interactions in polar molecules, J. Am. Chem. Soc., 1970, 92, 4653-4656. [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]

Auerbach, Baeda, et al., 1973
Auerbach, J.; Baeda, A.P.M.; Los, D.J., Fragmentation of Negative Ions Formed in Collisions of Alkali Atoms and Halogen Molecules, Physica, 1973, 64, 1, 134, https://doi.org/10.1016/0031-8914(73)90119-5 . [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H, J. Chem. Phys., 1973, 59, 3162. [all data]

Chupka, Berkowitz, et al., 1971
Chupka, W.A.; Berkowitz, J.; Gutman, D., Electron Affinities of Halogen Diatomic Molecules as Determined by Endoergic Charge Exchange, J. Chem. Phys., 1971, 55, 6, 2724, https://doi.org/10.1063/1.1676487 . [all data]

DeCorpo and Franklin, 1971
DeCorpo, J.J.; Franklin, J.L., Electron affinities of the halogen molecules by dissociative electron attachment, J. Chem. Phys., 1971, 54, 1885. [all data]

Moutinho, Aten, et al., 1971
Moutinho, A.M.C.; Aten, J.A.; Los, J., Temperature dependence of the total cross section for chemi-ionization in ackali halide-galogen collisions, Physica, 1971, 53, 471. [all data]

Ayala, Wentworth, et al., 1981
Ayala, J.A.; Wentworth, W.E.; Chen, E.C.M., Electron attachment to halogens, J. Phys. Chem., 1981, 85, 768. [all data]

Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J., Ion pair formation in alkali-halogen collisions at high velocities, Chem. Phys., 1976, 17, 303. [all data]

Cockett, Donovan, et al., 1996
Cockett, M.C.R.; Donovan, R.J.; Lawley, K.P., Zero kinetic energy pulsed field ionization (ZEKE-PFI) spectroscopy of electronically and vibrationally excited states of I2+: The A 2Π3/2,u state and a new electronic state, the a 4σ-u state, J. Chem. Phys., 1996, 105, 3347. [all data]

Cockett, Goode, et al., 1995
Cockett, M.C.R.; Goode, J.G.; Lawley, K.P.; Donovan, R.J., Zero kinetic energy photoelectron spectroscopy of Rydberg excited molecular iodine, J. Chem. Phys., 1995, 102, 5226. [all data]

Carlson, Gerard, et al., 1988
Carlson, T.A.; Gerard, P.; Pullen, B.P.; Grimm, F.A., Autoionization from the ione-pair orbitals of molecules containing iodine, J. Chem. Phys., 1988, 89, 1464. [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]

Grade and Rosinger, 1984
Grade, M.; Rosinger, W., A mass spectrometric investigation of iron(II)-iodide, Ber. Bunsen-Ges. Phys. Chem., 1984, 88, 767. [all data]

Grade, Rosinger, et al., 1984
Grade, M.; Rosinger, W.; Dowben, P.A., Core and valence electron binding energies of FeI2 and stabilities of gas phase species, Ber. Bunsen-Ges. Phys. Chem., 1984, 88, 65. [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]

Higginson, Lloyd, et al., 1973
Higginson, B.R.; Lloyd, D.R.; Roberts, P.J., Variable temperature photoelectron spectroscopy. The adiabatic ionization potential of the iodine molecule, Chem. Phys. Lett., 1973, 19, 480. [all data]

Potts and Price, 1971
Potts, A.W.; Price, W.C., Photoelectron spectra of the halogens and mixed halides ICI and lBr, J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]

Dibeler, Walker, et al., 1971
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.; Rosenstock, H.M., Effect of hot bands on the ionization threshold of some diatomic halogen molecules, Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 209. [all data]

Venkateswarlu, 1970
Venkateswarlu, P., Vacuum ultraviolet spectrum of the iodine molecule, Can. J. Phys., 1970, 48, 1055. [all data]

Myer and Samson, 1970
Myer, J.A.; Samson, J.A.R., Absorption cross section and photoionization yield of I2 between 1050 and 2200 A, J. Chem. Phys., 1970, 52, 716. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; McDowell, C.A.; Ragle, J.L.; Stenhouse, I.A., Photoelectron spectra of the halogens, J. Chem. Phys., 1971, 54, 2651. [all data]

Morrison, Hurzeler, et al., 1960
Morrison, J.D.; Hurzeler, H.; Inghram, M.G.; Stanton, H.E., Threshold law for the probability of excitation of molecules by photon impact. A study of the photoionization efficiencies of Br2, I2, HI, and CH3I, J. Chem. Phys., 1960, 33, 821. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Comes, Nielsen, et al., 1973
Comes, F.J.; Nielsen, U.; Schwarz, W.H.E., Inner electron excitation of iodine in the gaseous and solid phase, J. Chem. Phys., 1973, 58, 2230. [all data]

Haranath and Rao, 1958
Haranath, P.B.V.; Rao, P.T., Band spectra of iodine, chlorine, and bromine in the spectral region 2400-1400 A, J. Mol. Spectrosc., 1958, 2, 428. [all data]

Cordes, 1935
Cordes, H., Das absorptionsspektrum des jodmolekuls im vakuumultraviolett, Z. Phys., 1935, 97, 603. [all data]

Venkateswarlu, 1951
Venkateswarlu, P., The spectrum of iodine excited in the presence of argon, Phys. Rev., 1951, 81, 821. [all data]

Verma, 1959
Verma, R.D., The spectrum of iodine excited in the presence of argon, Proc. Indian Acad. Sci. Sect. A, 1959, 48, 197. [all data]

Mulliken, 1971
Mulliken, R.S., Iodine revisited, J. Chem. Phys., 1971, 55, 288. [all data]

Skorko, 1933
Skorko, E., Absorption bands of iodine vapour at high temperatures, Nature (London), 1933, 131, 366. [all data]

Haranath and Rao Prasada, 1960
Haranath, P.B.V.; Rao Prasada, T.A., The emission band system of iodine in the blue violet, Indian J. Phys., 1960, 34, 123. [all data]

Wieland, Tellinghuisen, et al., 1972
Wieland, K.; Tellinghuisen, J.B.; Nobs, A., The band systems E → B(4000-4360 Å) and F → X(2530-2740 Å) of 127I2 and 129I2, and the corresponding system E = B of Br2 and Cl2, J. Mol. Spectrosc., 1972, 41, 69. [all data]

Kortum and Friedheim, 1947
Kortum, G.; Friedheim, G., Lichtabsorption und molekularzustand des jods in dampf und losung, Z. Naturforsch. A, 1947, 2, 20. [all data]

Mathieson and Rees, 1956
Mathieson, L.; Rees, A.L.G., Electronic states and potential energy diagram of the iodine molecule, J. Chem. Phys., 1956, 25, 753. [all data]

Oldman, Sander, et al., 1971
Oldman, R.J.; Sander, R.K.; Wilson, K.R., Reinterpretation of I2 main visible continuum, J. Chem. Phys., 1971, 54, 4127. [all data]

Tellinghuisen, 1973
Tellinghuisen, J., Resolution of the visible-infrared absorption spectrum of I2 into three contributing transitions, J. Chem. Phys., 1973, 58, 2821. [all data]

Brown and Burns, 1974
Brown, J.D.; Burns, G., The thermal emission of iodine, Can. J. Phys., 1974, 52, 1862. [all data]

Barrow and Yee, 1973
Barrow, R.F.; Yee, K.K., B3Π0u+ - X1Σg+ system of 127I2: rotational analysis and long-range potential in the B3Π0u+| state, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 684. [all data]

Wei and Tellinghuisen, 1974
Wei, J.; Tellinghuisen, J., Parameterizing diatomic spectra: "best" spectroscopic constants for the I2 B = X transition, J. Mol. Spectrosc., 1974, 50, 317. [all data]

Brown, 1931
Brown, W.G., An infrared absorption band system of iodine, Phys. Rev., 1931, 38, 1187. [all data]

Kiefer and Bernstein, 1972
Kiefer, W.; Bernstein, H.J., Vibrational-rotational structure in the resonance Raman effect of iodine vapor, J. Mol. Spectrosc., 1972, 43, 366. [all data]

Williams, Rousseau, et al., 1974
Williams, P.F.; Rousseau, D.L.; Dworetsky, S.H., Resonance fluorescence and resonance Raman scattering: lifetimes in molecular iodine, Phys. Rev. Lett., 1974, 32, 196. [all data]

Rousseau and Williams, 1974
Rousseau, D.L.; Williams, P.F., Discrete and diffuse emission following two-photon excitation of the E state in molecular iodine, Phys. Rev. Lett., 1974, 33, 1368. [all data]

Tellinghuisen, 1975
Tellinghuisen, J., E → B structured continuum in I2, Phys. Rev. Lett., 1975, 34, 1137. [all data]

Rousseau, 1975
Rousseau, D.L., Lifetime of E → B transition in molecular iodine, J. Mol. Spectrosc., 1975, 58, 481. [all data]

Pringsheim and Rosen, 1928
Pringsheim, P.; Rosen, B., Uber die bandesysteme im spektrum des J2-dampfes, Z. Phys., 1928, 50, 1. [all data]

Kimura and Miyanishi, 1929
Kimura, M.; Miyanishi, M., A band absorption spectrum of iodine in an extreme ultra-violet region, Sci. Pap. Inst. Phys. Chem. Res. Jpn., 1929, 10, 33. [all data]

Nobs and Wieland, 1966
Nobs, A.; Wieland, K., The ultraviolet absorption spectrum of iodine (I2) vapour - a forgotten problem of old time spectroscopy, Helv. Phys. Acta, 1966, 39, 564. [all data]

Verma, 1960
Verma, R.D., Ultraviolet resonance spectrum of the iodine molecule, J. Chem. Phys., 1960, 32, 738. [all data]

McLennan, 1913
McLennan, J.C., On a fluorescence spectrum of iodine vapour, Proc. R. Soc. London A, 1913, 88, 289. [all data]

Tellinghuisen, 1974
Tellinghuisen, J., The McLennan bands of I2: a highly structured continuum, Chem. Phys. Lett., 1974, 29, 359. [all data]

Hays, Hoffman, et al., 1976
Hays, A.K.; Hoffman, J.M.; Tisone, G.C., Molecular-iodine laser, Chem. Phys. Lett., 1976, 39, 353. [all data]

Brith, Rowe, et al., 1975
Brith, M.; Rowe, M.D.; Schnepp, O.; Stephens, P.J., The magnetic circular dichroism spectrum of the halogen molecules I2, Br2, Cl2. Resolution of overlapping continua, Chem. Phys., 1975, 9, 57. [all data]

Zare, 1964
Zare, R.N., Calculation of intensity distribution in the vibrational structure of electronic transitions: the B3Π0+u-X1Σ0g+ resonance series of molecular iodine, J. Chem. Phys., 1964, 40, 1934. [all data]

Brown, Burns, et al., 1973
Brown, J.D.; Burns, G.; Le Roy, R.J., Improved spectroscopic data synthesis for I2(B3Π0u+) and predictions of J dependence for B(3Π0u+)-X(1Σg+) transition intensities, Can. J. Phys., 1973, 51, 1664. [all data]

Tellinghuisen, 1976
Tellinghuisen, J., Reassignment of I2 B-X transitions near 5145 Å, J. Mol. Spectrosc., 1976, 62, 294. [all data]

LeRoy and Bernstein, 1971
LeRoy, R.J.; Bernstein, R.B., Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: the halogens, J. Mol. Spectrosc., 1971, 37, 109. [all data]

LeRoy, 1972
LeRoy, R.J., Dependence of the diatomic rotational constant Bv on the long-range internuclear potential, Can. J. Phys., 1972, 50, 953. [all data]

Le Roy, 1973
Le Roy, R.J., Chapt. 3. Energy levels of a diatomic near dissociation in Molecular Spectroscopy. Volume 1, Barrow,R.F.; Long,D.A.; Millen,D.J., ed(s)., The Chemical Society, Burlington House, London, W1V 0BN, 1973, 113-175. [all data]

Yee, 1973
Yee, K.K., Analysis of RKR long-range potential of the B3Π0u+ state of I2, Chem. Phys. Lett., 1973, 21, 334. [all data]

LeRoy, 1974
LeRoy, R.J., Long-range potential coefficients from RKR turning points: C6 and C8 for B(3Π0u+)-state Cl2, Br2, and I2, Can. J. Phys., 1974, 52, 246. [all data]

Degenkolb, Steinfeld, et al., 1969
Degenkolb, E.O.; Steinfeld, J.I.; Wasserman, E.; Klemperer, W., Vibrational dependence of the magnetic quenching in iodine, J. Chem. Phys., 1969, 51, 615. [all data]

Capelle and Broida, 1972
Capelle, G.A.; Broida, H.P., Magnetic field dependence of I2 B-state lifetimes, J. Chem. Phys., 1972, 57, 5027. [all data]

Chapman and Bunker, 1972
Chapman, G.D.; Bunker, P.R., Magnetic quenching of iodine fluorescence excited by a 6328 Å He/Ne laser, J. Chem. Phys., 1972, 57, 2951. [all data]

Tellinghuisen, 1972
Tellinghuisen, J., Spontaneous predissociation in I2, J. Chem. Phys., 1972, 57, 2397. [all data]

Broyer, Vigue, et al., 1976
Broyer, M.; Vigue, J.; Lehmann, J.-C., Hyperfine predissociation of molecular iodine, J. Chem. Phys., 1976, 64, 4793. [all data]

Brewer and Tellinghuisen, 1972
Brewer, L.; Tellinghuisen, J., Quantum yield for unimolecular dissociation of I2 in visible absorption, J. Chem. Phys., 1972, 56, 3929. [all data]

Capelle and Broida, 1973
Capelle, G.A.; Broida, H.P., Lifetimes and quenching cross sections of I2(B3Π0+u), J. Chem. Phys., 1973, 58, 4212. [all data]

Keller, Broyer, et al., 1973
Keller, C.; Broyer, M.; Lehmann, J.-C., Mesure directe de la duree de vie des facteurs de lande du niveau 3Π0u+, v'=62, J'=27 de la molecule I2, C.R. Acad. Sci. Paris, Ser. B, 1973, 277, 369. [all data]

Paisner and Wallenstein, 1974
Paisner, J.A.; Wallenstein, R., Rotational lifetimes and self-quenching cross sections in the B3Π0u+ state of 127I2, J. Chem. Phys., 1974, 61, 4317. [all data]

Broyer, Vigue, et al., 1975
Broyer, M.; Vigue, J.; Lehmann, J.C., Direct evidence of the natural predissociation of the I2B state through systematic measurements of lifetimes, J. Chem. Phys., 1975, 63, 5428. [all data]

Child, 1973
Child, M.S., Direct inversion of magnetic fluorescence quenching data for the B3Π(0u+) state of iodine, J. Mol. Spectrosc., 1973, 45, 293. [all data]

Broyer, Vigue, et al., 1973
Broyer, M.; Vigue, J.; Lehmann, J.-C., Two unexpected effects concerning perturbations of the B3Π0+u state of molecular iodine, Chem. Phys. Lett., 1973, 22, 313. [all data]

Vigue, Broyer, et al., 1974
Vigue, J.; Broyer, M.; Lehmann, J.C., Quantum interference effect between the magnetic and natural predissociations in the B3Π0+u state of I2. A new experimental proof, J. Phys. B:, 1974, 7, 158. [all data]

Vigue, Broyer, et al., 1975
Vigue, J.; Broyer, M.; Lehmann, J.-C., Predissociation effects in the B3Π0u+ state of iodine, J. Chem. Phys., 1975, 62, 4941. [all data]

Broyer and Lehmann, 1972
Broyer, M.; Lehmann, J.C., Rotational Lande factors in the B3Π0u+ state of iodine, Phys. Lett. A, 1972, 40, 43. [all data]

Broyer, Lehmann, et al., 1975
Broyer, M.; Lehmann, J.-C.; Vigue, J., g Factors and lifetimes in the B state of molecular iodine, J. Phys. (Paris), 1975, 36, 235. [all data]

Gouedard, Broyer, et al., 1976
Gouedard, G.; Broyer, M.; Vigue, J.; Lehmann, J.C., Comment on Lande factors and chemical shifts in molecular iodine, Phys. Rev. Lett., 1976, 36, 906. [all data]

Gouedard, Broyer, et al., 1976, 2
Gouedard, G.; Broyer, M.; Vigue, J.; Lehmann, J.C., Anomalous behaviour of the Lande factors and the chemical shift close to the dissociation limit of the B state of molecular iodine, Chem. Phys. Lett., 1976, 43, 118. [all data]

Wallenstein, Paisner, et al., 1974
Wallenstein, R.; Paisner, J.A.; Schawlow, A.L., Observation of Zeeman quantum beats in molecular iodine, Phys. Rev. Lett., 1974, 32, 1333. [all data]

Tellinghuisen, 1973, 2
Tellinghuisen, J., Continuous absorption below the band convergence limit in the I2 B ← X transition, J. Chem. Phys., 1973, 59, 849. [all data]

Hanes and Dahlstrom, 1969
Hanes, G.R.; Dahlstrom, C.E., Iodine hyperfine structure observed in saturated absorbtion at 633 nm, Appl. Phys. Lett., 1969, 14, 362. [all data]

Kroll, 1969
Kroll, M., Hyperfine structure in the visible molecular-iodine absorption spectrum, Phys. Rev. Lett., 1969, 23, 631. [all data]

Hansch, Levenson, et al., 1971
Hansch, T.W.; Levenson, M.D.; Schawlow, A.L., Complete hyperfine structure of a molecular iodine line, Phys. Rev. Lett., 1971, 26, 946. [all data]

Hanes, Lapierre, et al., 1971
Hanes, G.R.; Lapierre, J.; Bunker, P.R.; Shotton, K.C., Nuclear hyperfine structure in the electronic spectrum of 127I2 by saturated absorption spectroscopy, and comparison with theory, J. Mol. Spectrosc., 1971, 39, 506. [all data]

Sorem, Levenson, et al., 1971
Sorem, M.S.; Levenson, M.D.; Schawlow, A.L., Saturation spectroscopy of molecular iodine using the 5017 Å argon laser line, Phys. Lett. A, 1971, 37, 33. [all data]

Levenson and Schawlow, 1972
Levenson, M.D.; Schawlow, A.L., Hyperfine interactions in molecular iodine, Phys. Rev. A: Gen. Phys., 1972, 6, 10. [all data]

Sorem, Hansch, et al., 1972
Sorem, M.S.; Hansch, T.W.; Schawlow, A.L., Nuclear quadrupole coupling in the 1Σg+ and 3Π0u+ states of molecular iodine, Chem. Phys. Lett., 1972, 17, 300. [all data]

Youmans, Hackel, et al., 1973
Youmans, D.G.; Hackel, L.A.; Ezekiel, S., High-resolution spectroscopy of I2 using laser-molecular-beam techniques, J. Appl. Phys., 1973, 44, 2319. [all data]

Ruben, Kukolich, et al., 1973
Ruben, D.J.; Kukolich, S.G.; Hackel, L.A.; Youmans, D.G.; Ezekiel, S., Laser-molecular beam measurement of hyperfine structure in the I2 spectrum, Chem. Phys. Lett., 1973, 22, 326. [all data]

Bunker and Hanes, 1974
Bunker, P.R.; Hanes, G.R., Nuclear spin-spin coupling in the spectrum of I2 at 6328 Å, Chem. Phys. Lett., 1974, 28, 377. [all data]

Tesic and Pao, 1975
Tesic, M.; Pao, Y.-H., Theoretical assignment of the observed hyperfine structure in the saturated absorption spectra of I2129 and I127I129 vapors in the 633 nm wavelength region, J. Mol. Spectrosc., 1975, 57, 75. [all data]

Steinfeld, Zare, et al., 1965
Steinfeld, J.I.; Zare, R.N.; Jones, L.; Lesk, M.; Klemperer, W., Spectroscopic constants and vibrational assignment for the B3Π0u+ state of iodine, J. Chem. Phys., 1965, 42, 25. [all data]

Brown and James, 1965
Brown, R.L.; James, T.C., Isotopic determination of the vibrational numbering for the B3Π0u+ state of iodine, J. Chem. Phys., 1965, 42, 33. [all data]

Ashby, 1975
Ashby, Private communication cited in Huber and Herzberg, 1979, 1975, 337. [all data]

Rank and Baldwin, 1951
Rank, D.H.; Baldwin, W.M., Molecular constants of the ground state of the I2 molecule, J. Chem. Phys., 1951, 19, 1210. [all data]

Rank and Rao, 1964
Rank, D.H.; Rao, B.S., Molecular constants of the ground state of I2, J. Mol. Spectrosc., 1964, 13, 34. [all data]

LeRoy, 1970
LeRoy, R.J., Molecular constants and internuclear potential of ground-state molecular iodine, J. Chem. Phys., 1970, 52, 2683. [all data]

Gerstenkorn, Luc, et al., 1977
Gerstenkorn, S.; Luc, P.; Perrin, A., Rotational analysis of the 5350 Å band of iodine by means of Fourier transform spectroscopy, J. Mol. Spectrosc., 1977, 64, 56. [all data]

Verma and LeRoy, 1974
Verma, R.D.; LeRoy, R.J., Comment on the uv resonance spectrum and ground-state dissociation energy of I2, J. Chem. Phys., 1974, 61, 438. [all data]

Solarz and Levy, 1972
Solarz, R.; Levy, D.H., Non-linear level crossing in the X1Σg+ state of iodine, Chem. Phys. Lett., 1972, 17, 35. [all data]

Barrow, Broyd, et al., 1973
Barrow, R.F.; Broyd, D.F.; Pederson, L.B.; Yee, K.K., The dissociation energies of gaseous Br2 and I2, Chem. Phys. Lett., 1973, 18, 357. [all data]

Clear and Wilson, 1973
Clear, R.D.; Wilson, K.R., Assignment of continuous spectra by photofragment spectroscopy: C state of I2, J. Mol. Spectrosc., 1973, 47, 39. [all data]

Howard and Andrews, 1974
Howard, W.F., Jr.; Andrews, L., Matrix Raman spectra of the molecular halogens: resonance Raman spectra of isolated and aggregated I2, J. Raman Spectrosc., 1974, 2, 447. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]


Notes

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