Monochlorine monoxide

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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 September, 1976

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 35Cl16O
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Several unclassified absorption bands in the region 67000 - 79000 cm-1.
↳Basco and Morse, 1973
H (74125) (1025) H         H ← X V 74212 H
↳Basco and Morse, 1973
G (2Π) 73913 1075 H 10        G ← X V 73705 H
↳missing citation
73878 1075 H 10        G ← X V 73986 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
F (2Σ) 69109 [1001] 1 H         F ← X V 68869 H
↳missing citation
69109 [1001] 1 H         F ← X V 69181 H
↳missing citation
E (2Σ) 67333 1070 H 4        E ← X V 67120 H
↳missing citation
67333 1070 H 4        E ← X V 67445 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
D (2Σ) 64486 1050 H 2        D ← X V 64269 H
↳missing citation
64486 1050 H 2        D ← X V 64582 H
↳missing citation
C (2Σ) 58448 1062 H 3        C ← X V 58234 H
↳missing citation
58448 1062 H 3        C ← X V 58554 H
↳missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A 2Πi 32169 519.5 Z 7.2 2 -0.11 0.4450 3 0.006 0.000024 [1.31E-6]  1.858 A ↔ X R 31682.9 4 Z
↳Pannetier and Gaydon, 1948; Porter, 1950; missing citation; missing citation; missing citation; missing citation
31650 519.5 Z 7.2 2 -0.11 0.4450 3 0.006 0.000024 [1.31E-6]  1.858 A ↔ X R 31482.3 4 Z
↳Pannetier and Gaydon, 1948; Porter, 1950; missing citation; missing citation; missing citation; missing citation
X 2Πi 318 5 853.8 6 Z 5.5 -0.02 0.623448 7 0.0058 0.000016 [1.33E-6]  1.56963 8  
↳Andrews and Raymond, 1971; Chi and Andrews, 1973
0 853.8 6 Z 5.5 -0.02 0.623448 7 0.0058 0.000016 [1.33E-6]  1.56963 9  
↳Amano, Hirota, et al., 1968; Amano, Saito, et al., 1969
EPR sp. 10
↳Carrington, Dyer, et al., 1967; Carrington, Levy, et al., 1967; Uehara and Morino, 1970; Uehara, Tanimoto, et al., 1971

Notes

1ΔG(3/2) = 950, ΔG(5/2) = 980.
2see 3
3In absorption observed to v'=25 of 2Π3/2 [Bv, Dv values in Coxon and Ramsay, 1976, Coxon, Jones, et al., 1976] close to the dissociation limit at 38052 cm-1 above X 2Π3/2(v=0). The constants are for levels with v≤9. All absorption and emission bands are diffuse on account of predissociation. Linewidths in different bands vary from 0.3 to 3.1 cm-1 and are >5 cm-1 in v'=6 Coxon and Ramsay, 1976.
4Note that there have been several changes of vibrational numbering [see, e.g., Briggs, 1972]; here we have used that of Coxon and Ramsay, 1976 and Coxon, Jones, et al., 1976.
5From the VUV absorption spectrum Basco and Morse, 1973; confirmed by EPR spectrum Carrington, Dyer, et al., 1967, Uehara, Tanimoto, et al., 1971.
6missing note
7From combined microwave and ultraviolet data; the microwave values of Amano, Saito, et al., 1969 are B0(2Π3/2) = 0.6l9773 and B0(2Π1/2) = 0.621231. Λ-type doubling in the 2Π1/2 component, Δvfe = +0.02249(J+1/2).
8Matrix IR and Raman sp.
9Microwave sp. 10
10Dipole moment from Stark effect of microwave spectrum μel(v=0) = 1.239 D Amano, Saito, et al., 1969, from Stark effect of EPR spectrum 1.18D Carrington, Levy, et al., 1967. eqQ and other hyperfine structure constants in Amano, Saito, et al., 1969, Uehara, Tanimoto, et al., 1971
11From the convergence limit of the A ← X, 2Π3/2 ← 2Π3/2 subbands Coxon and Ramsay, 1976 assuming dissociation into 2P3/2 + 1D
12Mass-spectrometric studies and theoretical calculations; see O'Hare and Wahl, 1971.
13The effective we values for 2Π1/2 and 2Π3/2 are 853.0 and 854.9 cm-1, respectively Coxon, Jones, et al., 1976.
14Indirectly from thermochemical data and mass-spectrometric studies; also theoretical calculations; see O'Hare and Wahl, 1971.

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.

Basco and Morse, 1973
Basco, N.; Morse, R.D., The vacuum ultraviolet absorption spectrum of ClO, J. Mol. Spectrosc., 1973, 45, 35. [all data]

Pannetier and Gaydon, 1948
Pannetier, G.; Gaydon, A.G., Band spectrum of ClO in flames, Nature (London), 1948, 161, 242. [all data]

Porter, 1950
Porter, G., The absorption spectroscopy of substances of short life, Discuss. Faraday Soc., 1950, 9, 60, https://doi.org/10.1039/df9500900060 . [all data]

Andrews and Raymond, 1971
Andrews, L.; Raymond, J.I., Argon matrix infrared spectrum of the ClO radical, J. Chem. Phys., 1971, 55, 3087. [all data]

Chi and Andrews, 1973
Chi, F.K.; Andrews, L., Argon matrix Raman spectra of dichlorine monoxide and its photolysis products monochlorine monoxide and chlorine-monochlorine monoxide. Infrared matrix spectra of monochlorine monoxide and dimeric monochlorine monoxide, J. Phys. Chem., 1973, 77, 26, 3062, https://doi.org/10.1021/j100644a007 . [all data]

Amano, Hirota, et al., 1968
Amano, T.; Hirota, E.; Morino, Y., Microwave spectrum of the ClO radical, J. Mol. Spectrosc., 1968, 27, 257. [all data]

Amano, Saito, et al., 1969
Amano, T.; Saito, S.; Hirota, E.; Morino, Y., Microwave spectrum of the ClO radical, J. Mol. Spectrosc., 1969, 30, 275. [all data]

Carrington, Dyer, et al., 1967
Carrington, A.; Dyer, P.N.; Levy, D.H., Gas-phase electron resonance spectrum of ClO, J. Chem. Phys., 1967, 47, 1756. [all data]

Carrington, Levy, et al., 1967
Carrington, A.; Levy, D.H.; Miller, T.A., Stark effect in gas-phase electron resonance. The dipole moments of ClO, BrO, SH, and 1ΔSO, J. Chem. Phys., 1967, 47, 3801. [all data]

Uehara and Morino, 1970
Uehara, H.; Morino, Y., Gas-phase EPR spectra of rotationally excited states of SH and ClO free radicals, J. Mol. Spectrosc., 1970, 36, 158. [all data]

Uehara, Tanimoto, et al., 1971
Uehara, H.; Tanimoto, M.; Morino, Y., Hyperfine interactions in the gas-phase E.P.R. spectra of 35ClO (2Π3/2) in the J=5/2 and J=3/2 levels, Mol. Phys., 1971, 22, 799. [all data]

Coxon and Ramsay, 1976
Coxon, J.A.; Ramsay, D.A., The A2Πi-X2Πi band system of ClO: reinvestigation of the absorption spectrum, Can. J. Phys., 1976, 54, 1034. [all data]

Coxon, Jones, et al., 1976
Coxon, J.A.; Jones, W.E.; Skolnik, E.G., Rotational analysis of emission bands of the A2Πi-X2Πi system of 35ClO, Can. J. Phys., 1976, 54, 1043. [all data]

Briggs, 1972
Briggs, A.G., Vibrational reassignments in the A2Π-X2Π system of ClO, Nature (London), 1972, 239, 13. [all data]

O'Hare and Wahl, 1971
O'Hare, P.A.G.; Wahl, A.C., Dissociation energy, ionization potential, electron affinity, dipole and quadrupole moments of chlorine monoxide (ClO,2Π) from ab initio molecular orbital calculations, J. Chem. Phys., 1971, 54, 3770. [all data]

Notes

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