Sulfur monoxide

Formula: OS
Molecular weight: 48.064
IUPAC Standard InChI: InChI=1S/OS/c1-2
IUPAC Standard InChIKey: XTQHKBHJIVJGKJ-UHFFFAOYSA-N
CAS Registry Number: 13827-32-2
Chemical structure:
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Constants of diatomic molecules

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Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through August, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Potential energy diagram Colin, 1969. Fragment of another system near 70700 cm^-1 Donovan and Little, 1971
E (³Π)	(67884)	[1220]									E ← X	68092
	↳Donovan, Husain, et al., 1969
	(67884)	[1220]									E ← X	67921
	↳Donovan, Husain, et al., 1969
	(67884)	[1220]									E ← X	67746
	↳Donovan, Husain, et al., 1969
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
D (³Π)	(54340)	[1254]									D ← X	54586
	↳Donovan, Husain, et al., 1969
	(54340)	[1254]									D ← X	54394
	↳Donovan, Husain, et al., 1969
	(54340)	[1254]									D ← X	54259
	↳Donovan, Husain, et al., 1969
C	(42200)	(170) 1								(2.2)
C	↳Colin, 1969
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ³Σ^-	41629	630.4 2 3 H	4.79 2		0.52₀ 4 5	0.006₂		(1.28E-6)		1.775	B ↔ X 6 7	41370
B ³Σ^-	↳Martin, 1932; Norrish and Oldershaw, 1959; McGrath and McGarvey, 1962; missing citation
A ³Π₂	38622	412.7 8 Z	1.7		0.6164	0.0204	0.0010	(4.8E-6)		1.601₆	A ↔ X 9 R	38255 10
A ³Π₂	↳missing citation
A ³Π₁	38462	413.3 8 Z	1.6		0.6107 11	0.0194	0.0009	(4.0E-6)		1.609₁	A ↔ X 9 R	38095 10
A ³Π₁	↳missing citation
A ³Π₀	38306	415.2 8 Z	1.6		0.6067 12	0.0194	0.0009	(3.7E-6)		1.614₄	A ↔ X 9 R	37940 10
A ³Π₀	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
b ¹Σ⁺	10510.0	1068.6₆ 13 Z	7.2₅		0.7026₂	0.0063₅		[1.20E-6] 14		1.5001	b → X R	10469.33 Z
b ¹Σ⁺	↳missing citation; missing citation
a ¹Δ	(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 ³Σ^-	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

Notes

State causing perturbations and predissociations in B ³Σ^-.

The constants given represent the best approximation for v ≤ 6 Norrish and Oldershaw, 1959.

Vibrational 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 ΔG occurs near v=16 owing to an avoided crossing with another ³Σ^- 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).

Strong 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.

Spin splitting constants λ₀ = 3.5, γ₀ = 0.010 or -0.020 Powell and Lide, 1964.

Radiative lifetimes τ = 17.₃ ns, τ= 16.₆ ns, τ= 16.₂ ns for v=0, 1, 2, respectively Smith, 1969.

Franck-Condon factors Smith and Liszt, 1971, Hebert and Hodder, 1974; measured relative intensities, variation of electronic transition moment with r Hebert and Hodder, 1974.

Constants derived from v=1...4; v=0 is perturbed. ΔG(1/2) = 425, 416, 414 for ³Π₀, ³Π₁, ³Π₂, respectively. ΔG decreases rapidly above v=4.

Radiative lifetime τ = 12.₄ ns corresponding to a band oscillator strength f ~ 0.018 near the Franck-Condon maximum (2-0 band); see Smith, 1972.

Approximate origins for the deperturbed 0-0 band, by extrapolation from the unperturbed levels v=1...4; see 8.

Λ-type doubling Δ v_fe = +0.00031J(J+1).

Λ-type doubling Δ v_fe ~ +1.2 cm^-1, slightly dependent on J.

Vibrational 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: ΔG(1/2) = 1136.7 Hopkins and Brown, 1975.

D₁ = 1.30E-6.

From a comparison with O₂ and S₂ Colin, 1968.

"True" B₀ of Clark and de Lucia, 1976; the effective value is 0.7103476.

Microwave sp. 24

The ³³S hf interaction has been studied by Miller, 1971.

Spin splitting constants λ₀ = +5.2787981 cm^-1, λ₁ = +5.3105, γ₀ = -0.0056153 cm^-1, γ₁ = -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.

IR sp. 25

μ_el = 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.

From the first predissociation limit in B ³Σ^- (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.

From the photoelectron spectrum Jonathan, Smith, et al., 1971, Dyke, Golob, et al., 1974.

μ_el = 1.32 D [average of values obtained from Stark effect of ESR missing citation, Byfleet, Carrington, et al., 1971 and microwave Saito, 1970 spectra].

In argon matrix.

References

Go To: Top, Constants of diatomic molecules, Notes

Colin, 1969
Colin, R., Spectrum of SO: analysis of the B³Σ^--X³Σ^- and A³Π-X³Σ^- 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, ¹Δ, 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 ¹Δ and ³Σ 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(¹Δ) 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 ¹Δ 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 ³Σ-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 (³Σ) 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 B³Σ^- de la molecule SO. Identification et constantes de l'etat perturbateur C³Π_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 B³Σ^- - X³Σ^- band system, J. Phys. B:, 1974, 7, 2244. [all data]

Smith, 1972
Smith, W.H., The oscillator strengths of the SO A³Π-X³Σ^- 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 b¹Σ⁺-X³Σ^- de la molecule SO, Spectrochim. Acta, 1971, 27, 1909. [all data]

Colin, 1968
Colin, R., The b¹Σ⁺ -X³Σ^- 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 B³Σ^- - X³Σ^- 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 ²Π SH and ¹Δ 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_α), 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(3Σ-) 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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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