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Sulfur 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 August, 1977

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 32S16O
Potential energy diagram Colin, 1969. Fragment of another system near 70700 cm-1 Donovan and Little, 1971
E (3Pi) (67884) [1220]         E larrow X 68092
Donovan, Husain, et al., 1969
(67884) [1220]         E larrow X 67921
Donovan, Husain, et al., 1969
(67884) [1220]         E larrow X 67746
Donovan, Husain, et al., 1969
D (3Pi) (54340) [1254]         D larrow X 54586
Donovan, Husain, et al., 1969
(54340) [1254]         D larrow X 54394
Donovan, Husain, et al., 1969
(54340) [1254]         D larrow X 54259
Donovan, Husain, et al., 1969
C (42200) (170) 1        (2.2)  
Colin, 1969
B 3Sigma- 41629 630.4 2 3 H 4.79 2  0.520 4 5 0.0062  (1.28E-6)  1.775 B lrarrow X 6 7 41370
Martin, 1932; Norrish and Oldershaw, 1959; McGrath and McGarvey, 1962; missing citation
A 3Pi2 38622 412.7 8 Z 1.7  0.6164 0.0204 0.0010 (4.8E-6)  1.6016 A lrarrow X 9 R 38255 10
missing citation
A 3Pi1 38462 413.3 8 Z 1.6  0.6107 11 0.0194 0.0009 (4.0E-6)  1.6091 A lrarrow X 9 R 38095 10
missing citation
A 3Pi0 38306 415.2 8 Z 1.6  0.6067 12 0.0194 0.0009 (3.7E-6)  1.6144 A lrarrow X 9 R 37940 10
missing citation
b 1Sigma+ 10510.0 1068.66 13 Z 7.25  0.70262 0.00635  [1.20E-6] 14  1.5001 b rarrow X R 10469.33 Z
missing citation; missing citation
a 1Delta (6350) 15    [0.7103383] 16   [1.168E-6]  [1.491971] 17  
Saito, 1970; Clark and de Lucia, 1976
ESR sp. 18
Carrington, Levy, et al., 1966; Uehara, 1971; Brown and Uehara, 1972
X 3Sigma- 0 1149.22 13 Z 5.63  0.7208171 19 0.0057367  [1.134E-6]  1.481087 20  
Hopkins and Brown, 1975
Microwave sp. 21
Powell and Lide, 1964; Winnewisser, Sastry, et al., 1964; Amano, Hirota, et al., 1967; Tiemann, 1974; Tiemann, 1974, 2; Clark and de Lucia, 1976
ESR sp.
Daniels and Dorain, 1966; Carrington, Levy, et al., 1967; Davies, Wayne, et al., 1974


1State causing perturbations and predissociations in B 3Sigma-.
2The constants given represent the best approximation for v leq 6 Norrish and Oldershaw, 1959.
3Vibrational levels observed to v'=30, very close to the convergence limit S(1D)+O(3P) at 52500 ± 100 cm-1 McGrath and McGarvey, 1962, Colin, 1969. A large drop in the value of DeltaG occurs near v=16 owing to an avoided crossing with another 3Sigma- state Abadie and Herman, 1963, Colin, 1969. Lower vibrational levels appear to converge to a limit at ~ 59090 cm-1 corresponding to S(3P)+O(1D).
4Strong rotational perturbations, particularly for v=1 and 2 Martin, 1932, Abadie and Herman, 1964, Abadie, 1970 and v=7, 11 Colin, 1969. Predissociation (breaking-off in emission) for v=0, 1, 2, 3 above N=66, 53, 39, 6, respectively Martin, 1932, leading to a dissociation limit near 43224 cm-1. A second predissociation (diffuseness in absorption) sets in above v=8 and reaches its maximum for v=14, 15, substantially above the corresponding dissociation limit 3P + 3P Colin, 1969.
5Spin splitting constants lambda0 = 3.5, gamma0 = 0.010 or -0.020 Powell and Lide, 1964.
6Radiative lifetimes tau = 17.3 ns, tau= 16.6 ns, tau= 16.2 ns for v=0, 1, 2, respectively Smith, 1969.
7Franck-Condon factors Smith and Liszt, 1971, Hebert and Hodder, 1974; measured relative intensities, variation of electronic transition moment with r Hebert and Hodder, 1974.
8Constants derived from v=1...4; v=0 is perturbed. DeltaG(1/2) = 425, 416, 414 for 3Pi0, 3Pi1, 3Pi2, respectively. DeltaG decreases rapidly above v=4.
9Radiative lifetime tau = 12.4 ns corresponding to a band oscillator strength f ~ 0.018 near the Franck-Condon maximum (2-0 band); see Smith, 1972.
10Approximate origins for the deperturbed 0-0 band, by extrapolation from the unperturbed levels v=1...4; see 8.
11Lambda-type doubling Delta vfe = +0.00031J(J+1).
12Lambda-type doubling Delta vfe ~ +1.2 cm-1, slightly dependent on J.
13Vibrational constants of Bouchoux, Marchand, et al., 1971; the older values of Norrish and Oldershaw, 1959, Colin, 1968 are based on an extrapolation of the ground state vibrational levels Martin, 1932 required by the revised v" numbering of Norrish and Oldershaw, 1959. This change has been confirmed by isotope studies Apparao and Narasimham, 1969. IR fundamental in Ar matrix: DeltaG(1/2) = 1136.7 Hopkins and Brown, 1975.
14D1 = 1.30E-6.
15From a comparison with O2 and S2 Colin, 1968.
16"True" B0 of Clark and de Lucia, 1976; the effective value is 0.7103476.
17Microwave sp. 24
18The 33S hf interaction has been studied by Miller, 1971.
19Spin splitting constants lambda0 = +5.2787981 cm-1, lambda1 = +5.3105, gamma0 = -0.0056153 cm-1, gamma1 = -0.00572 Clark and de Lucia, 1976. For an improved representation of the rotational levels according to the intermediate case "c"- case "e" coupling model see Veseth, 1973, Veseth and Lofthus, 1974, Veseth, 1975; for an ab initio calculation of the spin-orbit part of 11 (dominant contribution to the observed splitting) see Wayne, 1975. Rotational constants for 34S16O, 32S18O, 33S16O are given in Tiemann, 1974, Tiemann, 1974, 2.
20IR sp. 25
21muel = 1.55 D from Stark effect of microwave spectra Powell and Lide, 1964. The hf interaction due to 33S has been studied by microwave Amano, Hirota, et al., 1967 and ESR spectroscopy Carrington, Levy, et al., 1967, 2; see also Veseth, 1976.
22From the first predissociation limit in B 3Sigma- (see 4) assuming that it corresponds to dissociation into 3P2 + 3P2. A similar value (D00 = 5.364 eV) follows from the assumption that the convergence limit of the B state (see 3) corresponds to S(1D)+O(3P2). The value given here has been confirmed by thermochemical measurements Colin, Goldfinger, et al., 1964; see also Gaydon, 1968.
23From the photoelectron spectrum Jonathan, Smith, et al., 1971, Dyke, Golob, et al., 1974.
24muel = 1.32 D [average of values obtained from Stark effect of ESR missing citation, Byfleet, Carrington, et al., 1971 and microwave Saito, 1970 spectra].
25In argon matrix.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Colin, 1969
Colin, R., Spectrum of SO: analysis of the B3«SIGMA»--X3«SIGMA»- and A3«PI»-X3«SIGMA»- band systems, Can. J. Phys., 1969, 47, 979. [all data]

Donovan and Little, 1971
Donovan, R.J.; Little, D.J., Vacuum ultraviolet spectrum of the SO radical, Spectrosc. Lett., 1971, 4, 213. [all data]

Donovan, Husain, et al., 1969
Donovan, R.J.; Husain, D.; Jackson, P.T., Spectroscopic and kinetic studies of the SO radical and the photolysis of thionyl chloride, J. Chem. Soc. Faraday Trans., 1969, 65, 2930. [all data]

Martin, 1932
Martin, E.V., The band spectrum of sulphur monoxide, Phys. Rev., 1932, 41, 167. [all data]

Norrish and Oldershaw, 1959
Norrish, R.G.W.; Oldershaw, G.A., The absorption spectrum of SO and the flash photolysis of sulphur dioxide and sulphur trioxide, Proc. R. Soc. London A, 1959, 249, 498. [all data]

McGrath and McGarvey, 1962
McGrath, W.D.; McGarvey, J.J., Absorption spectrum and dissociation energy of the SO radical, J. Chem. Phys., 1962, 37, 1574. [all data]

Saito, 1970
Saito, S., Microwave spectrum of the SO radical in the first electronically excited state, 1«DELTA», J. Chem. Phys., 1970, 53, 2544. [all data]

Clark and de Lucia, 1976
Clark, W.W.; de Lucia, F.C., The microwave spectrum and rotational structure of the 1«DELTA» and 3«SIGMA» electronic states of sulfur monoxide, J. Mol. Spectrosc., 1976, 60, 332. [all data]

Carrington, Levy, et al., 1966
Carrington, A.; Levy, D.H.; Miller, T.A., Electron resonance of electronically excited SO(1«DELTA») in the gas phase, Proc. R. Soc. London A, 1966, 293, 108. [all data]

Uehara, 1971
Uehara, H., Gas-phase E.P.R. spectra of SO on the 1«DELTA» state, Mol. Phys., 1971, 21, 407. [all data]

Brown and Uehara, 1972
Brown, J.M.; Uehara, H., On the effective Zeeman hamiltonian for a linear molecule in an orbitally degenerate state, Mol. Phys., 1972, 24, 1169. [all data]

Hopkins and Brown, 1975
Hopkins, A.G.; Brown, C.W., Infrared spectrum of sulfur monoxide, J. Chem. Phys., 1975, 62, 2511. [all data]

Powell and Lide, 1964
Powell, F.X.; Lide, D.R., Jr., Microwave spectrum of the SO radical, J. Chem. Phys., 1964, 41, 1413. [all data]

Winnewisser, Sastry, et al., 1964
Winnewisser, M.; Sastry, K.V.L.N.; Cook, R.L.; Gordy, W., Millimeter wave spectroscopy of unstable molecular species. II. Sulfur monoxide, J. Chem. Phys., 1964, 41, 1687. [all data]

Amano, Hirota, et al., 1967
Amano, T.; Hirota, E.; Morino, Y., Microwave spectrum of the SO radical. Equilibrium S-O distance, electric quadrupole coupling constant and magnetic hyperfine structure constants, J. Phys. Soc. Jpn., 1967, 22, 399. [all data]

Tiemann, 1974
Tiemann, E., Microwave spectra of molecules of astrophysical interest. VIII. Sulfur monoxide, J. Phys. Chem. Ref. Data, 1974, 3, 259. [all data]

Tiemann, 1974, 2
Tiemann, E., Isotope dependence of the rotational constant of sulfur monoxide in the 3«SIGMA»-ground state, J. Mol. Spectrosc., 1974, 51, 316. [all data]

Daniels and Dorain, 1966
Daniels, J.M.; Dorain, P.B., Electron paramagnetic resonance of sulfur monoxide, J. Chem. Phys., 1966, 45, 26. [all data]

Carrington, Levy, et al., 1967
Carrington, A.; Levy, D.H.; Miller, T.A., Electron resonance of SO (3«SIGMA») in the gas phase], Proc. R. Soc. London A, 1967, 298, 340. [all data]

Davies, Wayne, et al., 1974
Davies, P.B.; Wayne, F.D.; Stone, A.J., The gas-phase electron paramagnetic resonance spectrum of vibrationally excited SO radicals, Mol. Phys., 1974, 28, 1409. [all data]

Abadie and Herman, 1963
Abadie, D.; Herman, R., Limites de dissociation de la molecule SO, Compt. Rend., 1963, 257, 2820. [all data]

Abadie and Herman, 1964
Abadie, D.; Herman, L., Perturbation dans le spectre d'emission de la molecule SO, J. Quant. Spectrosc. Radiat. Transfer, 1964, 4, 195. [all data]

Abadie, 1970
Abadie, D., Analyse de la structure de rotation perturbee du niveau v=I de l'etat B3«SIGMA»- de la molecule SO. Identification et constantes de l'etat perturbateur C3«PI»i, Ann. Phys. (Paris), 1970, 5, 227. [all data]

Smith, 1969
Smith, W.H., Absolute transition probabilities for some electronic states of CS, SO and S2, J. Quant. Spectrosc. Radiat. Transfer, 1969, 9, 1191. [all data]

Smith and Liszt, 1971
Smith, W.H.; Liszt, H.S., Franck-Condon factors and absolute oscillator strengths for NH, SiH, S2 and SO, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 45. [all data]

Hebert and Hodder, 1974
Hebert, G.R.; Hodder, R.V., Intensity measurements in emission on 29 bands of the SO B3«SIGMA»- - X3«SIGMA»- band system, J. Phys. B:, 1974, 7, 2244. [all data]

Smith, 1972
Smith, W.H., The oscillator strengths of the SO A3«PI»-X3«SIGMA»- band systems, Astrophys. J., 1972, 176, 265. [all data]

Bouchoux, Marchand, et al., 1971
Bouchoux, A.M.; Marchand, J.; Janin, J., Contribution a l'etude du systeme b1«SIGMA»+-X3«SIGMA»- de la molecule SO, Spectrochim. Acta, 1971, 27, 1909. [all data]

Colin, 1968
Colin, R., The b1«SIGMA»+ -X3«SIGMA»- band system of SO, Can. J. Phys., 1968, 46, 1539. [all data]

Apparao and Narasimham, 1969
Apparao, K.V.S.R.; Narasimham, N.A., Isotope shift studies of the B3«SIGMA»- - X3«SIGMA»- bands of SO, Proc. Indian Acad. Sci. Sect. A, 1969, 68, 173. [all data]

Miller, 1971
Miller, T.A., Sulfur-33 hyperfine interactions in the gas-phase electron resonance spectra of 2«PI» SH and 1«DELTA» SO, J. Chem. Phys., 1971, 54, 1658. [all data]

Veseth, 1973
Veseth, L., Hund's coupling case (c) in diatomic molecules. II. Examples, J. Phys. B:, 1973, 6, 1484. [all data]

Veseth and Lofthus, 1974
Veseth, L.; Lofthus, A., Fine structure and centrifugal distortion in the electronic and microwave spectra of O2 and SO, Mol. Phys., 1974, 27, 511. [all data]

Veseth, 1975
Veseth, L., On the centrifugal distortion in the microwave spectra of O2 and SO, Mol. Phys., 1975, 29, 321. [all data]

Wayne, 1975
Wayne, F.D., Origin of the variation with vibrational and rotational state of the fine-structure constants in O2, SO and S2, Chem. Phys. Lett., 1975, 31, 97. [all data]

Carrington, Levy, et al., 1967, 2
Carrington, A.; Levy, D.H.; Miller, T.A., Hyperfine interactions in the gas phase electron resonance spectrum of 33S16O, Mol. Phys., 1967, 13, 401. [all data]

Veseth, 1976
Veseth, L., The hyperfine structure of diatomic molecules: Hund's case (c«alpha»), J. Mol. Spectrosc., 1976, 59, 51. [all data]

Colin, Goldfinger, et al., 1964
Colin, R.; Goldfinger, P.; Jeunehomme, M., Mass-spectrometric studies of vaporization of the sulphides of calcium, strontium and barium. The dissociation energy of S2 and SO, Trans. Faraday Soc., 1964, 60, 306. [all data]

Gaydon, 1968
Gaydon, A.G., Dissociation energies and spectra of diatomic molecules, Chapman and Hall, Ltd., 3rd Edition, London, 1968, 1. [all data]

Jonathan, Smith, et al., 1971
Jonathan, N.; Smith, D.J.; Ross, K.J., The high resolution photoelectron spectra of transient species: sulphur monoxide, Chem. Phys. Lett., 1971, 9, 217. [all data]

Dyke, Golob, et al., 1974
Dyke, J.M.; Golob, L.; Jonathan, N.; Morris, A.; Okuda, M.; Smith, D.J., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 3. The SO(3«SIGMA»-) radical, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1818. [all data]

Byfleet, Carrington, et al., 1971
Byfleet, C.R.; Carrington, A.; Russell, D.K., Electric dipole moments of open-shell diatomic molecules, Mol. Phys., 1971, 20, 271. [all data]


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