Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

I2+


Constants of diatomic molecules

Go To: Top, 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+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B (2Sigmag+) (27900) 1           
A 2Pi1/2u (18950) 1           
A 2Pi3/2u (12420) 1           
X 2Pi1/2g 5180 2 220 3          
X 2Pi3/2g 0 240 3          

Notes

1From photoelectron spectra Frost, McDowell, et al., 1967, Cornford, Frost, et al., 1971.
2From the photoelectron spectrum Higginson, Lloyd, et al., 1973. Frost, McDowell, et al., 1967 obtain 5080.
3Average vibrational spacings in the photoelectron spectrum of Higginson, Lloyd, et al., 1973. Good agreement for the 3/2 component with omega = 238 Gillespie and Morton, 1969 from the resonance Raman spectrum in solution Gillespie and Morton, 1969.
4From 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