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

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.


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

Symbols used in the table of constants
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 (132)Xe16O
F 2           F lrarrow X 1 
Herman and Herman, 1950; Stedman and Setser, 1970; Golde and Thrush, 1974
F 3           (F rarrow A) 
Cuthbertson and Herman, 1952; Goodman, Tully, et al., 1977
For the following states there are ab initio potential functions Dunning and Hay, 1977. The molecular states arise from Xe (1S) + O (1S) : d, Xe (1S) + O (1D) : a,b,c, Xe (1S) + O (3P) : X, A.
d (1Sigma+) (33268) 4 152 H 9.9        d rarrow b 5 (17695) 6
Lorents and Huestis, 1975; Goodman, Tully, et al., 1977
           d 7 rarrow a 8 R 20097 9 H
Kenty, Aicher, et al., 1946; Herman, 1946; Herman and Herman, 1950; missing citation; Goodman, Tully, et al., 1977
           (d rarrow X) 10 32460
Herman and Herman, 1950; Lorents and Huestis, 1975; Goodman, Tully, et al., 1977
c (1Delta)Repulsive state.
b (1Pi) (15600) 4 97 6 H 8.7         
a (1Sigma+) (13068) 4 372 9 H 12.0         
A (3Sigma-)Repulsive state.
X (3Pi)Repulsive state.


1Charge-transfer transition from a largely ionic upper state (+XeO-) to the largely atomic ground state; see Golde and Thrush, 1974. In argon matrix absorption at 44040 cm-1 Ault and Andrews, 1976.
2Broad emission continuum with maximum at 42000 cm-1, in discharges through Xe + trace of O2 and in chemiluminescence of Xe (3P2) + N2O.
3Narrow band group at 34300 cm-1 in discharges through Xe + O2. Laser excitation produces a broad emission band at 34500 cm-1 in solid argon.
4Te relative to Xe(1S) + O(3P2).
5Observed in emission from electron-beam excited high density Xe + O2 mixtures Lorents and Huestis, 1975 and as laser-excited fluorescence in rare gas matrices Goodman, Tully, et al., 1977.
6The b state vibrational numbering Lorents and Huestis, 1975 is uncertain; according to Goodman, Tully, et al., 1977 it may have to be increased by +1.
7Lifetime tau(v=0,1) ~ 50 mus Tisone, 1974; Aleksandrov, Vinogradov, et al., 1976 suggest the much shorter value tau ~ 0.1 mus Aleksandrov, Vinogradov, et al., 1976.
8Observed in an ozonizer-type discharge through Xe(~ 1 atm) + traces of O2 Cooper, Cobb, et al., 1961; partially resolved rotational structure. Laser-excited fluorescence in rare gas matrices Goodman, Tully, et al., 1977. Laser oscillation observed using electron-beam excitation of high-pressure Xe containing small amounts of O2 Powell, Murray, et al., 1974, Basov, Babeiko, et al., 1976.
9The a state vibrational numbering Cooper, Cobb, et al., 1961 may have to be raised by +3 units; an unambiguous numbering has not been established in spite of the availability of Xe18O data in solid argon Goodman, Tully, et al., 1977.
10Narrow emission peak; in solid argon and neon at 31940 and 32670 cm-1, respectively.


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.

Herman and Herman, 1950
Herman, R.; Herman, L., Emission de l'oxygene dilue dans une atmosphere de xenon, J. Phys. Radium, 1950, 11, 69. [all data]

Stedman and Setser, 1970
Stedman, D.H.; Setser, D.W., Chemical applications of metastable argon atoms. III. Production of krypton and xenon metastable atoms, J. Chem. Phys., 1970, 52, 3957. [all data]

Golde and Thrush, 1974
Golde, M.F.; Thrush, B.A., Vacuum UV emission from reactions of metastable inert gas atoms: chemiluminescence of ArO and ArCl, Chem. Phys. Lett., 1974, 29, 486. [all data]

Cuthbertson and Herman, 1952
Cuthbertson, D.; Herman, R., Spectroscopie - Structure de la bande d'emission 2940 Å de l'oxygene dilue dans une atmosphere de xenon, Compt. Rend., 1952, 234, 355. [all data]

Goodman, Tully, et al., 1977
Goodman, J.; Tully, J.C.; Bondybey, V.E.; Brus, L.E., Excited state spectroscopy, subpicosecond predissociation, and solvation of diatomic XeO in solid rare gas hosts, J. Chem. Phys., 1977, 66, 4802. [all data]

Dunning and Hay, 1977
Dunning, T.H., Jr.; Hay, P.J., Low-Lying electronic states of the rare gas oxides, J. Chem. Phys., 1977, 66, 3767-3777. [all data]

Lorents and Huestis, 1975
Lorents, D.C.; Huestis, D.L., Excimer and energy transfer lasers, Lect. Notes Phys., 1975, 43, 100. [all data]

Kenty, Aicher, et al., 1946
Kenty, C.; Aicher, J.O.; Noel, E.B.; Poritsky, A.; Paolino, V., A new band system in the green excited in a mixture of xenon and oxygen and the energy of dissociation of CO, Phys. Rev., 1946, 69, 36. [all data]

Herman, 1946
Herman, R., Spectroscopie - Spectre d'emission de l'oxygene dans le xenon, C.R. Acad. Sci. Paris, 1946, 222, 492. [all data]

Ault and Andrews, 1976
Ault, B.S.; Andrews, L., Absorption spectroscopic evidence for argon matrix-isolated XeO, Chem. Phys. Lett., 1976, 43, 350. [all data]

Tisone, 1974
Tisone, G.C., Lifetime and quenching rate constants for the Green bands of XeO, J. Chem. Phys., 1974, 60, 3716. [all data]

Aleksandrov, Vinogradov, et al., 1976
Aleksandrov, V.Ya.; Vinogradov, V.Yu.; Lugovskii, V.V.; Podmoshenskii, I.V., Kinetics of the emission of the XeO molecule, Opt. Spectrosc. Engl. Transl., 1976, 41, 224, In original 390. [all data]

Cooper, Cobb, et al., 1961
Cooper, C.D.; Cobb, G.C.; Tolnas, E.L., Visible spectra of XeO and KrO, J. Mol. Spectrosc., 1961, 7, 223. [all data]

Powell, Murray, et al., 1974
Powell, H.T.; Murray, J.R.; Rhodes, C.K., Laser oscillation on the green bands of XeO and KrO, Appl. Phys. Lett., 1974, 25, 730. [all data]

Basov, Babeiko, et al., 1976
Basov, N.G.; Babeiko, Yu.A.; Zuev, V.S.; Mikheev, L.D.; Orlov, V.K.; Pogorel'skii, I.V.; Stavrovskii, D.B.; Startsev, A.V.; Yalovoi, V.I., Laser emission from the XeO molecule under optical pumping conditions, Sov. J. Quantum Electron. Engl. Transl., 1976, 6, 505, In original 930. [all data]


Go To: Top, Constants of diatomic molecules, References