I2+
- Formula: I2+
- Molecular weight: 253.80839
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Constants of diatomic molecules
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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: 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 |  e | exe | eye | Be |  e |  e | De |  e | re | Trans. |  00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
B (2 g+) | (27900) 1 | |||||||||||
A 2 1/2u | (18950) 1 | |||||||||||
| A 23/2u | (12420) 1 | |||||||||||
| X 21/2g | 5180 2 | 220 3 | ||||||||||
| X 23/2g | 0 | 240 3 |
Notes
| 1 | From photoelectron spectra Frost, McDowell, et al., 1967, Cornford, Frost, et al., 1971. |
| 2 | From the photoelectron spectrum Higginson, Lloyd, et al., 1973. Frost, McDowell, et al., 1967 obtain 5080. |
| 3 | Average vibrational spacings in the photoelectron spectrum of Higginson, Lloyd, et al., 1973. Good agreement
for the 3/2 component with = 238 Gillespie and Morton, 1969 from the resonance Raman spectrum in
solution Gillespie and Morton, 1969. |
| 4 | From D00(I2)+I.P.(I)-I.P.(I2); the uncertainty in the ionization potential of I2 (see note b of I2), makes D00(I2+) equally uncertain. |
References
Go To: Top, 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.
Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A.,
Photoelectron spectra of the halogens and the hydrogen halides,
J. Chem. Phys., 1967, 46, 4255. [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]
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]
Gillespie and Morton, 1969
Gillespie, R.J.; Morton, M.J.,
The resonance Raman spectrum of the I2+ ion,
J. Mol. Spectrosc., 1969, 30, 178-183. [all data]
Notes
Go To: Top, Constants of diatomic molecules, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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