lead sulphide
- Formula: PbS
- Molecular weight: 239.3
- IUPAC Standard InChI: InChI=1S/Pb.S
- IUPAC Standard InChIKey: XCAUINMIESBTBL-UHFFFAOYSA-N
- CAS Registry Number: 1314-87-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Lead monosulfide
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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 | 31.501 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 60.088 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1973 |
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) | 2000. to 6000. |
|---|---|
| A | 18.61410 |
| B | -7.115720 |
| C | 1.803761 |
| D | -0.121947 |
| E | -5.991109 |
| F | 16.39430 |
| G | 74.22801 |
| H | 31.50000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1973 |
Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.5 ± 0.5 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.4 ± 0.5 | EI | Uy and Drowart, 1969 | RDSH |
| 8.6 ± 0.5 | EI | Colin and Drowart, 1962 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Pb+ | 11.6 ± 0.5 | S | EI | Colin and Drowart, 1962 | RDSH |
| S+ | 16.0 ± 2.0 | Pb | EI | Colin and Drowart, 1962 | RDSH |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| F | 47770 | 370 H | (7.8) | F ← X R | 47729.5 1 H | |||||||
| ↳missing citation | ||||||||||||
| E (0+) | (34000) 2 | E ← X | ||||||||||
| ↳missing citation | ||||||||||||
| D 1 | 29653.2 | 297.83 Z | 1.365 | 0.10160 3 | 0.00064 | 2.447 | D ← X 4 R | 29587.4 Z | ||||
| ↳Rochester and Howell, 1935; Barrow, Fry, et al., 1963 | ||||||||||||
| C' (1) | 25024.4 | 283.95 H | 1.171 | C' ← X R | 24952.3 H | |||||||
| ↳Rochester and Howell, 1935 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| C (0+) | 23212.9 | 303.93 H | 1.436 | C ← X R | 23150.7 H | |||||||
| ↳Rochester and Howell, 1935 | ||||||||||||
| B 1 | 21847.4 | 282.17 H | 0.856 | 0.09992 3 | 0.000602 | 2.467 | B ← X 4 R | 21774.5 H | ||||
| ↳missing citation; Barrow, Fry, et al., 1963 | ||||||||||||
| A 0+ | 18853.0 | 260.83 Z | 0.363 | 0.09634 3 | 0.000262 | 2.513 | A ← X 4 R | 18768.9 Z | ||||
| ↳missing citation; Barrow, Fry, et al., 1963 | ||||||||||||
| a 1 | 14892.9 | 285.9 H | (0.88) | 0.09267 | 0.000374 | 2.562 | a ← X 4 R | 14821.9 Z | ||||
| ↳Barrow, Fry, et al., 1963 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 1Σ+ | 0 | 429.40 Z | 1.30 | 0.11631868 5 3 | 0.00043509 6 | 3.415E-8 | 1.3E-10 | 2.286863 7 | ||||
| ↳Marino, Guerin, et al., 1974 | ||||||||||||
| Rotation sp. 8 | ||||||||||||
| ↳Hoeft, Lovas, et al., 1969; Tiemann, Stieda, et al., 1975 | ||||||||||||
Notes
| 1 | Observed value. Te, ωe, ωexe represent only v'=1,2,...; the v'=0 bands are displaced by ~12 cm-1 to lower energies owing to a perturbation. |
| 2 | Unclassified bands in the region 3100 - 2750 Å (32200 - 36400 cm-1). |
| 3 | RKR potential functions Nair, Singh, et al., 1965. |
| 4 | Also observed as laser-excited emission in Ne, Ar, Kr, SF6 matrices Teichman and Nixon, 1975. Lifetimes in solid Ar have been measured for a,A,B Teichman and Nixon, 1975: τ(a)=260 μs, τ(A)=0.95 μs, τ(B)=1.8 μs. |
| 5 | Rotational constants for 208Pb32S; Be values for other isotopes and adiabatic corrections Tiemann, Stieda, et al., 1975. |
| 6 | αv= -5.31E-7(v+1/2)2 - 5.0E-9(v+1/2)3. |
| 7 | Vibration sp. 10 |
| 8 | Dipole moment of 208Pb32S, μel(v=0) = 3.59 D Hoeft, Lovas, et al., 1969, from Stark effect of rotation spectrum Hoeft, Lovas, et al., 1969. A somewhat different value, μel(v=0)= 4.02 D Murty and Curl, 1969, is given by Murty and Curl, 1969. gJ = -0.06422 Tiemann, Stieda, et al., 1975 [Honerjager and Tischer, quoted in Tiemann, Stieda, et al., 1975]. |
| 9 | Thermochemical value (mass-spectrometry Colin and Drowart, 1962), revised Uy and Drowart, 1969. There appears to be a convergence of the E → X bands near 2715 Å Vago and Barrow, 1947. If it is assumed that this limit corresponds to 3P1 + 3P1 one finds D00 = 3.54 eV Barrow, Fry, et al., 1963. |
| 10 | In Ar matrix at 12 K. Teichman and Nixon, 1975 have also observed the Raman spectrum of the PbS fundamental in solid argon. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]
Uy and Drowart, 1969
Uy, O.M.; Drowart, J.,
Mass spectrometric determination of the dissociation energies of the molecules BiO, BiS, BiSe and BiTe,
J. Chem. Soc. Faraday Trans., 1969, 65, 3221. [all data]
Colin and Drowart, 1962
Colin, R.; Drowart, J.,
Thermodynamic study of tin sulfide and lead sulfide using a mass spectrometer,
J. Chem. Phys., 1962, 37, 1120. [all data]
Rochester and Howell, 1935
Rochester, G.D.; Howell, H.G.,
The vibrational analysis of the absorption spectrum of lead sulphide,
Proc. R. Soc. London A, 1935, 148, 157. [all data]
Barrow, Fry, et al., 1963
Barrow, R.F.; Fry, P.W.; Le Bargy, R.C.,
Rotational analysis of bands of the absorption spectrum of PbS,
Proc. Phys. Soc. London, 1963, 81, 697. [all data]
Marino, Guerin, et al., 1974
Marino, C.P.; Guerin, J.D.; Nixon, E.R.,
Infrared spectra of some matrix-isolated germanium, tin, and lead chalcogenides,
J. Mol. Spectrosc., 1974, 51, 160. [all data]
Hoeft, Lovas, et al., 1969
Hoeft, J.; Lovas, F.J.; Tiemann, E.; Tischer, R.; Torring, T.,
Elektrisches Dipolmoment und Mikrowellenrotationsspektrum von SnO, SnS, PbO und PbS,
Z. Naturforsch. A, 1969, 24, 1222. [all data]
Tiemann, Stieda, et al., 1975
Tiemann, E.; Stieda, W.U.; Torring, T.; Hoeft, J.,
Adiabatische Korrektur der Born-Oppenheimer-Naherung beim PbS,
Z. Naturforsch. A, 1975, 30, 1606. [all data]
Nair, Singh, et al., 1965
Nair, K.P.R.; Singh, R.B.; Rai, D.K.,
Potential-energy curves and dissociation energies of oxides and sulfides of group IV A elements,
J. Chem. Phys., 1965, 43, 3570. [all data]
Teichman and Nixon, 1975
Teichman, R.A., III; Nixon, E.R.,
The A → X emission spectra of PbS and PbSe in neon matrices: enhanced emission from isotopes and matrix sites,
J. Mol. Spectrosc., 1975, 57, 14. [all data]
Murty and Curl, 1969
Murty, A.N.; Curl, R.F., Jr.,
Dipole moments of the sulfides of Pb, Sn, and Si from Stark effect measurements,
J. Mol. Spectrosc., 1969, 30, 102. [all data]
Vago and Barrow, 1947
Vago, E.E.; Barrow, R.F.,
Ultra-violet absorption band-systems of PbO, PbS, PbSe and PbTe,
Proc. Phys. Soc. London, 1947, 59, 449. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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