Iodine
- Formula: I2
- Molecular weight: 253.80894
- IUPAC Standard InChIKey: PNDPGZBMCMUPRI-UHFFFAOYSA-N
- CAS Registry Number: 7553-56-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: I2; Eranol; Iode; Iodine-127; Iodio; Iosan Superdip; Jod; Jood; Molecular iodine; Tincture iodine; Vistarin; Iodine crystals; Iodine sublimed; Diiodine; Diatomic iodine
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 75
- Henry's Law data
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 |
---|---|---|---|---|---|
ΔfH°gas | 62.42 ± 0.08 | kJ/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 62.42 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 260.687 ± 0.005 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 260.69 | J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 457.666 to 2000. | 2000. to 6000. |
---|---|---|
A | 37.79763 | 76.73414 |
B | 0.225453 | -4.045782 |
C | -0.912556 | -1.848145 |
D | 1.034913 | 0.219044 |
E | -0.083826 | -82.39384 |
F | 50.86865 | -53.87151 |
G | 305.9199 | 281.2267 |
H | 62.42110 | 62.42110 |
Reference | Chase, 1998 | Chase, 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, 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 |
---|---|---|---|---|---|
ΔfH°liquid | 13.52 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 150.36 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 116.14 ± 0.30 | J/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Quantity | Value | Units | Method | Reference | Comment |
S°solid | 116.14 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 386.75 to 457.666 |
---|---|
A | 80.66919 |
B | 6.855652×10-8 |
C | -8.724352×10-8 |
D | 3.723132×10-8 |
E | 4.735829×10-10 |
F | -10.52782 |
G | 247.9798 |
H | 13.52302 |
Reference | Chase, 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 386.75 |
---|---|
A | -195.7635 |
B | 918.8984 |
C | -1079.242 |
D | 534.3219 |
E | 5.156403 |
F | 43.29938 |
G | -322.4780 |
H | 0.000000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1982 |
Phase change 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.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
311.9 to 456. | 3.36429 | 1039.159 | -146.589 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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
+
= I3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 136. ± 10. | kJ/mol | N/A | Taylor, Asmis, et al., 1999 | gas phase; B |
ΔrH° | 126. ± 5.9 | kJ/mol | CIDT | Do, Klein, et al., 1997 | gas phase; B |
ΔrH° | 356.1 | kJ/mol | Ther | Finch, Gates, et al., 1977 | gas phase; This value is far more bound than expected from other studies; B |
ΔrH° | 136.4 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF3-(t); ; ΔS(EA)=2.8; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 94.14 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF3-(t); ; ΔS(EA)=2.8; B |
By formula: C10Mn2O10 (cr) + I2 (cr) = 2C5IMnO5 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -185.0 ± 8.7 | kJ/mol | PC | Harel and Adamson, 1986 | The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -187.9 ± 8.4 kJ/mol Harel and Adamson, 1986, and from the solution enthalpies of Mn2(CO)10(cr), 36.0 ± 2.1 kJ/mol, I2(cr), 20.5 ± 0.4 kJ/mol, and Mn(CO)5(I)(cr), 26.8 ± 0.5 kJ/mol Harel and Adamson, 1986. The latter value refers to the solution in benzene and is therefore taken as an approximation; MS |
By formula: C10O10Re2 (cr) + I2 (cr) = 2C5IO5Re (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -172. ± 18. | kJ/mol | PC | Harel and Adamson, 1986 | The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -157. ± 16. kJ/mol, and from the solution enthalpies of Re2(CO)10(cr), 34.3 ± 2.1 kJ/mol, I2(cr), 20.5 ± 0.4 kJ/mol, and Re(CO)5(I)(cr), 34.7 ± 4.2 kJ/mol Harel and Adamson, 1986; MS |
By formula: HI + C3H5I = C3H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.3 ± 1.4 | kJ/mol | Eqk | Rodgers, Golden, et al., 1966 | gas phase; ALS |
ΔrH° | -39.7 ± 4.2 | kJ/mol | Eqk | Rodgers, Golden, et al., 1966 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -34.9 ± 0.96 kJ/mol; At 527 K; ALS |
By formula: HI + CH3I = CH4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -52.55 ± 0.54 | kJ/mol | Eqk | Golden, Walsh, et al., 1965 | gas phase; ALS |
ΔrH° | -53.0 ± 0.2 | kJ/mol | Eqk | Goy and Pritchard, 1965 | gas phase; ALS |
ΔrH° | -46.2 ± 5.6 | kJ/mol | Cm | Nichol and Ubbelohde, 1952 | gas phase; ALS |
C12H16Nb (cr) + 2 (cr) = C10H10I2Nb (cr) + 2
(l)
By formula: C12H16Nb (cr) + 2I2 (cr) = C10H10I2Nb (cr) + 2CH3I (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -242.3 ± 2.4 | kJ/mol | RSC | Diogo, Simoni, et al., 1993 | The difference between the enthalpies of formation of Nb(Cp)2(I)2 and Nb(Cp)2(Me)2 is calculated as -215.1 ± 2.6 kJ/mol; MS |
C20H26CoN5O4 (solution) + (solution) = C13H19CoIN5O4 (solution) +
(solution)
By formula: C20H26CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + C7H7I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.2 ± 3.8 | kJ/mol | RSC | Toscano, Seligson, et al., 1989 | solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Bz)(cr) was measured as 11.3 kJ/mol Toscano, Seligson, et al., 1989; MS |
C14H22CoN5O4 (solution) + (solution) = C13H19CoIN5O4 (solution) +
(solution)
By formula: C14H22CoN5O4 (solution) + I2 (solution) = C13H19CoIN5O4 (solution) + CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.9 ± 2.5 | kJ/mol | RSC | Toscano, Seligson, et al., 1989 | solvent: Bromoform; The enthalpy of solution of Co(py)(dmg)2(Me)(cr) was measured as 10.9 kJ/mol Toscano, Seligson, et al., 1989; MS |
By formula: C5HMnO5 (l) + I2 (cr) = HI (g) + C5IMnO5 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -108. ± 8. | kJ/mol | RSC | Connor, Zafarani-Moattar, et al., 1982 | The reaction enthalpy relies on -25. ± 5. kJ/mol for the enthalpy of solution of HI(g) in benzene Connor, Zafarani-Moattar, et al., 1982.; MS |
By formula: C2H4 + I2 = C2H4I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -48.1 ± 0.8 | kJ/mol | Eqk | Abrams and Davis, 1954 | gas phase; ALS |
ΔrH° | -56. ± 2. | kJ/mol | Eqk | Cutherbertson and Kistiakowsky, 1935 | gas phase; Heat of dissociation; ALS |
By formula: I2 + CClF3 = CF3I + ClI
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 72.3 ± 1.1 | kJ/mol | Eqk | Lord, Goy, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 71.55 ± 0.71 kJ/mol; ALS |
By formula: HI + C6H11I = C6H12 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.6 ± 8.4 | kJ/mol | Cm | Brennan and Ubbelohde, 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -28. ± 4.2 kJ/mol; ALS |
By formula: C2H3F3 + I2 = HI + C2H2F3I
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -64. ± 2. | kJ/mol | Eqk | Wu and Rodgers, 1974 | gas phase; Heat of formation Unpublished results by B.J. Zwolinski; ALS |
By formula: C2H2BrF3 + I2 = C2H2F3I + BrI
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. ± 2. | kJ/mol | Eqk | Buckley, Ford, et al., 1980 | gas phase; GLC;hf298_gas[kcal/mol]=-166.8±1.1; Kolesov and Papina, 1983; ALS |
By formula: C2H6Hg (l) + 2I2 (cr) = 2CH3I (l) + HgI2 (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -184.5 ± 0.8 | kJ/mol | RSC | Hartley, Pritchard, et al., 1950 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(solution) +
(solution) = 2
(solution)
By formula: C10O10Re2 (solution) + I2 (solution) = 2C5IO5Re (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -157. ± 16. | kJ/mol | PC | Harel and Adamson, 1986 | solvent: Cyclohexane; Please also see Adamson, Vogler, et al., 1978.; MS |
(l) + 3
(cr) = GaI3 (cr) + 3
(l)
By formula: C3H9Ga (l) + 3I2 (cr) = GaI3 (cr) + 3CH3I (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -200.0 ± 8.4 | kJ/mol | RSC | Fowell and Mortimer, 1958 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) + 2
(cr) = CH3GaI2 (cr) + 2
(l)
By formula: C3H9Ga (l) + 2I2 (cr) = CH3GaI2 (cr) + 2CH3I (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -158.6 ± 4.2 | kJ/mol | RSC | Fowell and Mortimer, 1958 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
(l) +
(cr) = 2C3H9ISn (l)
By formula: C6H18Sn2 (l) + I2 (cr) = 2C3H9ISn (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -184.1 ± 2.9 | kJ/mol | RSC | Pedley, Skinner, et al., 1957 | Please also see Pedley and Rylance, 1977 and Cox and Pilcher, 1970, 2.; MS |
By formula: C4H8I2 = C4H8 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.2 ± 6.3 | kJ/mol | Cm | Cline and Kistiakowsky, 1937 | gas phase; Heat of formation derived by Cox and Pilcher, 1970; ALS |
(cr) +
(solution) =
(solution) + C8H5IO3W (solution)
By formula: C8H6O3W (cr) + I2 (solution) = HI (solution) + C8H5IO3W (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -67.4 ± 3.8 | kJ/mol | RSC | Landrum and Hoff, 1985 | solvent: Dichloromethane; MS |
C15H12MoO3 (solution) + (solution) = C8H5IMoO3 (solution) +
(solution)
By formula: C15H12MoO3 (solution) + I2 (solution) = C8H5IMoO3 (solution) + C7H7I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -120.5 ± 4.2 | kJ/mol | RSC | Nolan, de la Vega, et al., 1988 | solvent: Tetrahydrofuran; MS |
C8H6MoO3 (cr) + (solution) = C8H5IMoO3 (solution) +
(solution)
By formula: C8H6MoO3 (cr) + I2 (solution) = C8H5IMoO3 (solution) + HI (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -75.3 ± 2.5 | kJ/mol | RSC | Landrum and Hoff, 1985 | solvent: Dichloromethane; MS |
C10MnO10Re (solution) + (solution) =
(solution) +
(solution)
By formula: C10MnO10Re (solution) + I2 (solution) = C5IO5Re (solution) + C5IMnO5 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -233. ± 13. | kJ/mol | PC | Harel and Adamson, 1986 | solvent: Cyclohexane; MS |
C8H5MoNaO3 (solution) + (cr) = C8H5IMoO3 (solution) +
(cr)
By formula: C8H5MoNaO3 (solution) + I2 (cr) = C8H5IMoO3 (solution) + INa (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -133.1 ± 5.4 | kJ/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; MS |
By formula: C2F4I2 = C2F4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69. ± 2. | kJ/mol | Eqk | Wu, Pickard, et al., 1975 | gas phase; Spectrophotometery at 298.15°K; ALS |
By formula: 2C3H8S + I2 = 2HI + C6H14S2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -124.9 | kJ/mol | Cm | Sunner, 1955 | liquid phase; solvent: Ethanol/water(90/10); ALS |
By formula: 2C5H12S + I2 = 2HI + C10H22S2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -124.9 | kJ/mol | Cm | Sunner, 1955 | liquid phase; solvent: Ethanol/water(90/10); ALS |
By formula: C4H10S2 + I2 = 2HI + C4H8S2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -123.2 | kJ/mol | Cm | Sunner, 1955 | liquid phase; solvent: Ethanol/water(90/10); ALS |
By formula: C8H16O2S2 + I2 = 2HI + C8H14O2S2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -109.6 | kJ/mol | Cm | Sunner, 1955 | liquid phase; solvent: Ethanol/water(90/10); ALS |
C22H36Zr (solution) + 2 (solution) = C20H30I2Zr (solution) + 2
(solution)
By formula: C22H36Zr (solution) + 2I2 (solution) = C20H30I2Zr (solution) + 2CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -292.9 ± 2.5 | kJ/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
By formula: C3H8S2 + I2 = 2HI + C3H6S2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -107.7 | kJ/mol | Cm | Sunner, 1955 | liquid phase; solvent: Ethanol/water(90/10); ALS |
C12H16Zr (solution) + 2 (solution) = C10H10I2Zr (solution) + 2
(solution)
By formula: C12H16Zr (solution) + 2I2 (solution) = C10H10I2Zr (solution) + 2CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -291.2 ± 2.5 | kJ/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C22H30O2Zr (solution) + (solution) = C20H30I2Zr (solution) + 2
(solution)
By formula: C22H30O2Zr (solution) + I2 (solution) = C20H30I2Zr (solution) + 2CO (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -191.6 ± 1.7 | kJ/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C22H36Hf (solution) + 2 (solution) = C20H30HfI2 (solution) + 2
(solution)
By formula: C22H36Hf (solution) + 2I2 (solution) = C20H30HfI2 (solution) + 2CH3I (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -265.3 ± 3.3 | kJ/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C37H30ClIrO3P2S (solution) + (solution) = C37H30ClI2IrOP2 (solution) +
(solution)
By formula: C37H30ClIrO3P2S (solution) + I2 (solution) = C37H30ClI2IrOP2 (solution) + O2S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -102.9 ± 0.4 | kJ/mol | RSC | Drago, Nozari, et al., 1979 | solvent: Benzene; MS |
By formula: HI + C7H7I = C7H8 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33. ± 4.6 | kJ/mol | Cm | Graham, Nichol, et al., 1955 | liquid phase; solvent: p-Xylene; ALS |
By formula: H2 + 2CH3I = 2CH4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -126. ± 3. | kJ/mol | Chyd | Carson, Carter, et al., 1961 | liquid phase; solvent: Ether; ALS |
C20H32Zr (solution) + (solution) = C20H30I2Zr (solution) +
(g)
By formula: C20H32Zr (solution) + I2 (solution) = C20H30I2Zr (solution) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -309.2 ± 3.3 | kJ/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C20H32Hf (solution) + (solution) = C20H30HfI2 (solution) +
(g)
By formula: C20H32Hf (solution) + I2 (solution) = C20H30HfI2 (solution) + H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -296.6 ± 2.9 | kJ/mol | RSC | Schock and Marks, 1988 | solvent: Toluene; MS |
C16H10O6W2 (cr) + (solution) = 2C8H5IO3W (solution)
By formula: C16H10O6W2 (cr) + I2 (solution) = 2C8H5IO3W (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -146.4 ± 3.8 | kJ/mol | RSC | Landrum and Hoff, 1985 | solvent: Dichloromethane; MS |
C16H10Mo2O6 (cr) + (solution) = 2C8H5IMoO3 (solution)
By formula: C16H10Mo2O6 (cr) + I2 (solution) = 2C8H5IMoO3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -133.1 ± 4.2 | kJ/mol | RSC | Landrum and Hoff, 1985 | solvent: Dichloromethane; MS |
(solution) +
(solution) = 2
(solution)
By formula: C10Mn2O10 (solution) + I2 (solution) = 2C5IMnO5 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -187.9 ± 8.4 | kJ/mol | PC | Harel and Adamson, 1986 | solvent: Cyclohexane; MS |
By formula: I- + I2 = (I- • I2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. | kJ/mol | N/A | Downs and Adams, 1973 | gas phase; from ΔrH(f); M |
By formula: H2 + 2C2H5I = 2C2H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -88.7 ± 3.3 | kJ/mol | Chyd | Ashcroft, Carson, et al., 1965 | liquid phase; ALS |
2 +
= C6H14Hg + 2
By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 242.3 ± 1.9 | kJ/mol | Cm | Mortimer, Pritchard, et al., 1952 | liquid phase; ALS |
2 +
= C6H14Hg + 2
By formula: 2C3H7I + HgI2 = C6H14Hg + 2I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 215.7 ± 2.4 | kJ/mol | Cm | Mortimer, Pritchard, et al., 1952 | liquid phase; ALS |
By formula: HI + CH3IS = CH4S + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.0 ± 2.3 | kJ/mol | Eqk | Shum and Benson, 1983 | gas phase; ALS |
By formula: C3H6O + I2 = HI + C3H5IO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.6 ± 5.0 | kJ/mol | Eqk | Solly, Golden, et al., 1970 | gas phase; ALS |
By formula: I2 + CBrF3 = CF3I + BrI
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.0 ± 0.1 | kJ/mol | Eqk | Lord, Goy, et al., 1967 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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 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 ± 0.0002 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
2.5240 ± 0.0050 | LPES | Zanni, Taylor, et al., 1997 | B |
2.52 ± 0.10 | NBIE | Auerbach, Baeda, et al., 1973 | B |
2.42 ± 0.20 | Endo | Hughes, Lifschitz, et al., 1973 | B |
2.58 ± 0.10 | Endo | Chupka, Berkowitz, et al., 1971 | B |
2.60 ± 0.10 | EIAE | DeCorpo and Franklin, 1971 | From CHI3; B |
2.40 ± 0.10 | NBIE | Moutinho, Aten, et al., 1971 | B |
2.33004 | ECD | Ayala, Wentworth, et al., 1981 | Vertical Detachment Energy: 1.7 eV; B |
1.722 ± 0.050 | NBIE | Hubers, Kleyn, et al., 1976 | Stated electron affinity is the Vertical Detachment Energy; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.3074 ± 0.0002 | TE | Cockett, Donovan, et al., 1996 | LL |
9.3074 ± 0.0002 | TE | Cockett, Goode, et al., 1995 | LL |
9.33 | PE | Carlson, Gerard, et al., 1988 | LL |
9.29 ± 0.05 | PI | Grade and Rosinger, 1985 | LBLHLM |
9.3 ± 0.2 | EI | Grade and Rosinger, 1985 | LBLHLM |
9.3 ± 0.2 | EI | Grade and Rosinger, 1984 | LBLHLM |
9.3 ± 0.2 | EI | Grade, Rosinger, et al., 1984 | LBLHLM |
9.3 ± 0.05 | EI | Hoareau, Cabaud, et al., 1981 | LLK |
9.5 | EI | Pittermann and Weil, 1980 | LLK |
9.311 ± 0.002 | PE | Higginson, Lloyd, et al., 1973 | LLK |
9.22 ± 0.01 | PE | Potts and Price, 1971 | LLK |
~9.37 | PI | Dibeler, Walker, et al., 1971 | LLK |
9.3995 ± 0.0012 | S | Venkateswarlu, 1970 | RDSH |
9.331 | PI | Myer and Samson, 1970 | RDSH |
9.356 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
9.34 | PE | Cornford, Frost, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
I+ | 8.8 ± 0.2 | I- | EI | Grade and Rosinger, 1985 | LBLHLM |
I+ | 11.94 ± 0.15 | I | PI | Grade and Rosinger, 1985 | LBLHLM |
I+ | 8.83 ± 0.07 | I- | PI | Grade and Rosinger, 1985 | LBLHLM |
I+ | 8.9 ± 0.2 | I- | EI | Grade and Rosinger, 1984 | LBLHLM |
I+ | 8.8 ± 0.2 | I- | EI | Grade, Rosinger, et al., 1984 | LBLHLM |
I+ | 13.0 | I | EI | Pittermann and Weil, 1980 | LLK |
I+ | 8.922 ± 0.013 | I- | PI | Myer and Samson, 1970 | RDSH |
I+ | 8.95 ± 0.02 | I- | PI | Morrison, Hurzeler, et al., 1960 | RDSH |
I+ | 8.83 ± 0.02 | I- | PI | Watanabe, 1957 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: I- + I2 = (I- • I2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 100. | kJ/mol | N/A | Downs and Adams, 1973 | gas phase; from ΔrH(f); M |
+
= I3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 136. ± 10. | kJ/mol | N/A | Taylor, Asmis, et al., 1999 | gas phase; B |
ΔrH° | 126. ± 5.9 | kJ/mol | CIDT | Do, Klein, et al., 1997 | gas phase; B |
ΔrH° | 356.1 | kJ/mol | Ther | Finch, Gates, et al., 1977 | gas phase; This value is far more bound than expected from other studies; B |
ΔrH° | 136.4 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF3-(t); ; ΔS(EA)=2.8; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 94.14 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF3-(t); ; ΔS(EA)=2.8; B |
By formula: I3- + I2 = (I3- • I2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.0 ± 5.9 | kJ/mol | CIDT | Do, Klein, et al., 1997 | gas phase; B |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
1 | From 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. |
2 | Weak 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. |
3 | Strong 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'. |
4 | From the intensity distribution and Franck-Condon principle Mulliken, 1971, Wieland, Tellinghuisen, et al., 1972. |
5 | In 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. |
6 | Configuration...σg2πu3πg3σu2. |
7 | The 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. |
8 | Suggested upper state of high temperature absorption "continuum" shortward of 3263 (30640 cm-1) |
9 | Configuration...σgπu4πg3σu2. |
10 | Emission 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. |
11 | The v' numbering is uncertain and, therefore, the vibrational constants are subject to change. |
12 | The 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. |
13 | Configuration . . . σgπu4πg4σu. |
14 | Suggested upper state of high temperature absorption "continuum" shortward of 3427 (29170 cm-1) |
15 | The 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. |
16 | Repulsive state from 2P3/2 + 2P1/2 responsible for a weak but broad absorption continuum with maximum at 2700 (37000 cm-1). 38 |
17 | Repulsive state from 2P3/2 + 2P3/2, responsible for absorption continuum with maximum at 20050 cm-1 and for the predissociation of B 3Π0+u. |
18 | f 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. |
19 | Configuration . . . σg2πu4πg3σu. |
20 | Repulsive 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. |
22 | Somewhat 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. |
23 | Collision 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. |
24 | gJ 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. |
26 | For 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. |
27 | The 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. |
28 | The 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. |
29 | Extrapolated 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. |
31 | The 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. |
32 | Suggested as lower state of high temperature absorption bands near 3427 Mulliken, 1971 Mulliken, 1971. |
33 | These 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. |
34 | gJ(v=0, J=12,14)=9.l3E-4 μN Solarz and Levy, 1972 from non-linear level crossing. |
35 | missing note |
36 | Raman sp. 39 |
37 | From the convergence of the vibrational levels in the B 3Π0+u state Barrow, Broyd, et al., 1973, Barrow and Yee, 1973. |
38 | Nature of the upper state (1u) and of the dissociation products confirmed by photofragment spectroscopy Clear and Wilson, 1973. |
39 | High 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, 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
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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,
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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,
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Spectroscopic constants and vibrational assignment for the B3Π0u+ state of iodine,
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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
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Molecular constants of the ground state of the I2 molecule,
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Rank and Rao, 1964
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Molecular constants of the ground state of I2,
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Molecular constants and internuclear potential of ground-state molecular iodine,
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Rotational analysis of the 5350 Å band of iodine by means of Fourier transform spectroscopy,
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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,
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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,
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Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
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Notes
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- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid 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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