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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 1.20 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 53.045 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1400. | 1400. to 6000. |
|---|---|---|
| A | 5.392959 | 5.617560 |
| B | 7.154171 | 2.586360 |
| C | -5.468421 | -0.540288 |
| D | 1.531781 | 0.040286 |
| E | 0.011367 | 1.207591 |
| F | -0.645850 | 1.296810 |
| G | 57.73210 | 60.89230 |
| H | 1.196701 | 1.196701 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: (O2S- • 4294967295OS) + OS = O2S-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 123.5 ± 1.2 | kcal/mol | N/A | Nimlos and Ellison, 1986 | gas phase |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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
Data collected through August, 1977
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | 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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | 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) | |||||||||
| ↳Colin, 1969 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | 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 | |||
| ↳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 | ||
| ↳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 | ||
| ↳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 | ||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | 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 | |||
| ↳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
| 1 | State causing perturbations and predissociations in B 3Σ-. |
| 2 | The constants given represent the best approximation for v ≤ 6 Norrish and Oldershaw, 1959. |
| 3 | 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). |
| 4 | 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. |
| 5 | Spin splitting constants λ0 = 3.5, γ0 = 0.010 or -0.020 Powell and Lide, 1964. |
| 6 | Radiative lifetimes τ = 17.3 ns, τ= 16.6 ns, τ= 16.2 ns for v=0, 1, 2, respectively Smith, 1969. |
| 7 | 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. |
| 8 | 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. |
| 9 | 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. |
| 10 | Approximate origins for the deperturbed 0-0 band, by extrapolation from the unperturbed levels v=1...4; see 8. |
| 11 | Λ-type doubling Δ vfe = +0.00031J(J+1). |
| 12 | Λ-type doubling Δ vfe ~ +1.2 cm-1, slightly dependent on J. |
| 13 | 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. |
| 14 | D1 = 1.30E-6. |
| 15 | From a comparison with O2 and S2 Colin, 1968. |
| 16 | "True" B0 of Clark and de Lucia, 1976; the effective value is 0.7103476. |
| 17 | Microwave sp. 24 |
| 18 | The 33S hf interaction has been studied by Miller, 1971. |
| 19 | 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. |
| 20 | IR sp. 25 |
| 21 | μel = 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. |
| 22 | 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. |
| 23 | From the photoelectron spectrum Jonathan, Smith, et al., 1971, Dyke, Golob, et al., 1974. |
| 24 | μel = 1.32 D [average of values obtained from Stark effect of ESR missing citation, Byfleet, Carrington, et al., 1971 and microwave Saito, 1970 spectra]. |
| 25 | In argon matrix. |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B.,
Photoelectron spectroscopy of SO2-, S3-, and S2O-,
J. Phys. Chem., 1986, 90, 2574. [all data]
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 C3Πi,
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 (cα),
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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