Thorium monoxide

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 June, 1975

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 232Th16O
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A good reproduction of the arc spectrum from 11400 to 27800 cm-1 can be found in Gatterer, Junkes, et al., 1957.
           R 24291 H
↳missing citation
K 1Π 22683.48 [795.47] Z (2.30)  0.318636 1 2 0.001244  [2.007E-7]  1.88033 K → X R 22635.65 Z
↳von Bornstedt and Edvinsson, 1970
22683.48 [795.47] Z (2.30)  0.318642 3 2 0.001325  [2.025E-7]  1.88033 K → X R 22635.65 Z
↳von Bornstedt and Edvinsson, 1970
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
M 1Π 21752.2 861.41 Z 5.27  0.325857 1 2 0.001390 4  [2.059E-7] 4  1.85953 M → X R 21734.32 Z
↳missing citation
21752.2 861.41 Z 5.27  0.325754 3 2 0.001398 5  [2.051E-7] 5  1.85953 M → X R 21734.32 Z
↳missing citation
           R 21407 H
↳missing citation
I 1Π 19586.29 800.85 Z 1.47  0.330434 1 6 0.001825 1.06E-4 2.360E-7 5.5E-9 1.8486 I → X R 19539.06 Z
↳missing citation; Wentink and Spindler, 1972
19586.29 800.85 Z 1.47  0.328921 3 6 0.001906 6.3E-5 2.218E-7 -1.5E-9 1.8486 I → X R 19539.06 Z
↳missing citation; Wentink and Spindler, 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F 1Σ(+) (18406) [757.36] 7 Z   [0.321397] 7  [2.042E-7] 7  [1.87224] F → X R 18337.56 Z
↳Edvinsson, Selin, et al., 1965
G (1Δ) 9 18038 8 816 2.4  0.318192 6 0.001276  [1.936E-7]  1.88165 G → X R 12693.35 Z
↳missing citation; missing citation; Wentink and Spindler, 1972
E 1Σ(+) 16353.60 829.26 Z 2.30  0.323090 0.001303  [1.990E-7]  1.86733 E → X R 16320.37 Z
↳Edvinsson, Selin, et al., 1965; Wentink and Spindler, 1972
D 1Π 15974.53 [834.22] Z (2.49)  0.325691 3 0.001357  [1.997E-7]  1.866 D → X R 15946.22 Z
↳Edvinsson, Selin, et al., 1965; Wentink and Spindler, 1972
15974.53 [834.22] Z (2.49)  0.321549 1 0.001298  [1.850E-7]  1.866 D → X R 15946.22 Z
↳Edvinsson, Selin, et al., 1965; Wentink and Spindler, 1972
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
           R 
↳missing citation
C 1Π 14520.35 [830.33] Z (2.39)  0.322455 1 0.001281  [1.931E-7]  1.8704 C → X R 14490.02 Z
↳Edvinsson, Selin, et al., 1965; Wentink and Spindler, 1972
14520.35 [830.33] Z (2.39)  0.321617 3 0.001287  [1.873E-7]  1.8704 C → X R 14490.02 Z
↳Edvinsson, Selin, et al., 1965; Wentink and Spindler, 1972
           V 
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B (1Π) 9 11155.57 842.80 Z 2.18  0.324973 1 0.001299  [1.942E-7]  1.8638 B → X R 11129.14 Z
↳missing citation; Wentink and Spindler, 1972; Zare, Schmeltekopf, et al., 1973
11155.57 842.80 Z 2.18  0.32364 3 0.00129  [1.882E-7]  1.8638 B → X R 11129.14 Z
↳missing citation; Wentink and Spindler, 1972; Zare, Schmeltekopf, et al., 1973
A (1Σ+) 9 10625.54 [841.48] Z (2.44)  0.323044 0.001294  [1.866E-7]  1.86746 A → X R 10600.82 Z
↳missing citation; Wentink and Spindler, 1972
H (1Φ) 9 5321 (864) (2.4)  0.326427 0.001258  [1.864E-7]  1.85776  
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 1Σ(+) 0 895.77 Z 2.39  0.332644 0.001302  [1.833E-7]  1.84032 10  
↳Gabelnick, Reedy, et al., 1974

Notes

1e levels.
2v=0 and 1 of K are perturbed by v=1 and 2 of M, respectively. The constants given are deperturbed values. An unidentified third state interacts strongly with M von Bornstedt and Edvinsson, 1970.
3f levels.
4B2 = 0.32174; D1 = 2.178E-7, D2 = 3.02E-7
5B2 = 0.32218; D1 = 2.026E-7, D2 = 2.22E-7.
6Perturbations in v=0,1,2,... of I by v=2,3,4,... of G, respectively. All constants are deperturbed values.
7F 1Σ is perturbed; B1 = 0.324261, D1 = 3.205E-7.
8From the analysis of perturbations; see 6.
9According to Edvinsson, 1971 these states should be identified as H 3Δ1, A 3Π0, B 3Π1, G 3Φ2.
10IR spectrum 13
11Thermochemical value (mass-spectrometry) Ackermann and Rauh, 1973. Hildenbrand and Murad, 1974 prefer 8.79 eV, the difference being largely due to the choice of free energy functions.
12By electron impact Rauh and Ackermann, 1974, Hildenbrand and Murad, 1974.
13In Ar matrix at 15 K.

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.

Gatterer, Junkes, et al., 1957
Gatterer, A.; Junkes, J.; Salpeter, E.W., Molecular spectra of metallic oxides, Specola Vaticana, Citta del Vaticano, 1957, 0. [all data]

von Bornstedt and Edvinsson, 1970
von Bornstedt, A.; Edvinsson, G., Rotational analysis of two mutually interacting electronic states of 1Π character in ThO, Phys. Scr., 1970, 2, 205. [all data]

Wentink and Spindler, 1972
Wentink, T., Jr.; Spindler, R.J., Jr., The isoelectronic series ScF through ThO-I notes on the band spectra of TiO, HfO and ThO, J. Quant. Spectrosc. Radiat. Transfer, 1972, 12, 1569. [all data]

Edvinsson, Selin, et al., 1965
Edvinsson, G.; Selin, L.-E.; Aslund, N., On the band spectrum of ThO, Ark. Fys., 1965, 30, 283. [all data]

Zare, Schmeltekopf, et al., 1973
Zare, R.N.; Schmeltekopf, A.L.; Harrop, W.J.; Albritton, D.L., A direct approach for the reduction of diatomic spectra to molecular constants for the construction of RKR potentials, J. Mol. Spectrosc., 1973, 46, 37. [all data]

Gabelnick, Reedy, et al., 1974
Gabelnick, S.D.; Reedy, G.T.; Chasanov, M.G., Infrared spectra and structure of some matrix-isolated lanthanide and actinide oxides, J. Chem. Phys., 1974, 60, 3, 1167, https://doi.org/10.1063/1.1681128 . [all data]

Edvinsson, 1971
Edvinsson, Dissertation. USIP Report 71-09, Stockholm, 1971, 1. [all data]

Ackermann and Rauh, 1973
Ackermann, R.J.; Rauh, E.G., High temperature properties of the thorium-oxygen system: a revision of the thermodynamic properties of ThO(g) and ThO2(g), High Temp. Sci., 1973, 5, 463. [all data]

Hildenbrand and Murad, 1974
Hildenbrand, D.L.; Murad, E., Mass spectrometric studies of gaseous ThO and ThO2, J. Chem. Phys., 1974, 61, 1232. [all data]

Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J., First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1974, 60, 1396. [all data]

Notes

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