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Gas phase thermochemistry data

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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°gas332.63kJ/molReviewChase, 1998Data last reviewed in September, 1963
Quantity Value Units Method Reference Comment
S°gas,1 bar281.33J/mol*KReviewChase, 1998Data last reviewed in September, 1963

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 6000.
A 37.38291
B 1.650748
C -0.007359
D 0.000626
E -0.085272
F 321.1237
G 325.6010
H 332.6284
ReferenceChase, 1998
Comment Data last reviewed in September, 1963

Gas phase ion energetics data

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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.21 ± 0.10LPESSun, Sun, et al., 2009B
1.366 ± 0.010LPESHo, Polak, et al., 1992B
1.48 ± 0.10LPESSobhy, Reveles, et al., 2009Stated electron affinity is the Vertical Detachment Energy; B
1.45 ± 0.10LPESGanteför, Gausa, et al., 1989B

Ionization energy determinations

IE (eV) Method Reference Comment
6.1 ± 0.3EISaito, Yamauchi, et al., 1982LBLHLM

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 May, 1977

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 (208)Pb2
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
Emission bands in the region 12500 - 11100 cm-1, observed in Ar and Ne matrices by excitation with argon/krypton ion laser lines.
↳Teichman and Nixon, 1976
Absorption bands in the region 33400 - 34600 cm-1 (preceded by continuous fluctuations from 31300 to 33300 cm-1), 36800 - 38000, and 41000 - 42200 cm-1.
↳Weniger, 1967
B 19490.3 161.64 1 H 1.036 0.0055       B ↔ X 2 R 19515.7 H
↳missing citation; missing citation; Johnson, Cannell, et al., 1972
A 14465.6 162.4 1 0.4        A ↔ X 3 (R) 14491.5
↳missing citation; Johnson, Cannell, et al., 1972; Puri and Mohan, 1975
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 0 110.5 1 4 H 0.35         

Notes

1Constants obtained by Johnson, Cannell, et al., 1972 from a reclassification of bands in the blue-green and in the red system. The new analysis of the ground state seems to be confirmed by the observation of a lower state frequency of 111 cm-1 in laser-excited matrix emission spectra [see Teichman and Nixon, 1976 who attribute the 111 cm-1 interval to a matrix-induced splitting of the ground state]. The revised lower state constants imply, however, a strong contradiction to the usual rule that if ω' > ω" then B' > B" since according to the published spectrograms of Weniger, 1967 the B-X bands are strongly shaded to the red, i.e. B' < B".
2Previously called A-X. Also observed in inert gas matrices Brewer and Chang, 1972, Teichman and Nixon, 1976.
3Previously believed to have B as its lower state.
4 Johnson, Cannell, et al., 1972 give 119.1 which seems to be a typographical or arithmetical error since it does not represent the band head measurements of Shawhan, 1935.
5Thermochemical value (mass-spectrom.) Gingerich, Cocke, et al., 1976.

References

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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]

Sun, Sun, et al., 2009
Sun, Z.; Sun, S.T.; Liu, H.T.; Zhu, Q.H.; Gao, Z.; Tang, Z.C., Photoelectron Spectroscopic and Theoretical Studies of MmC6F5 Anionic Complexes (M = Ph and Bi; m=1-4), J. Phys. Chem. A, 2009, 113, 28, 8045-8054, https://doi.org/10.1021/jp8099626 . [all data]

Ho, Polak, et al., 1992
Ho, J.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of Group-IV Heavy Metal Dimers - Sn2-, Pb2-, and SnPb-, J. Chem. Phys., 1992, 96, 1, 144, https://doi.org/10.1063/1.462503 . [all data]

Sobhy, Reveles, et al., 2009
Sobhy, M.A.; Reveles, J.U.; Gupta, U.; Khanna, S.N.; Castleman, A.W., Photoelectron imaging and theoretical investigation of bimetallic Bi1-2Ga0-2- and Pb-1-4(-) cluster anions, J. Chem. Phys., 2009, 130, 5, 054304, https://doi.org/10.1063/1.3069295 . [all data]

Ganteför, Gausa, et al., 1989
Ganteför, G.; Gausa, M.; Meiwes-Broer, K.H.; Lutz, H.O., Photoemission from Tin and Lead Clusters Anions, Z. Phys. D, 1989, 14, 1-4, 405, https://doi.org/10.1007/BF01426983 . [all data]

Saito, Yamauchi, et al., 1982
Saito, Y.; Yamauchi, K.; Mihama, K.; Noda, T., Formation and ionization potentials of lead clusters, Jpn. J. Appl. Phys., 1982, 21, 396. [all data]

Teichman and Nixon, 1976
Teichman, R.A., III; Nixon, E.R., Absorption and laser-excited emission spectra of matrix-isolated Pb2, J. Mol. Spectrosc., 1976, 59, 299. [all data]

Weniger, 1967
Weniger, S., Etude du spectre d'absorption de la molecule de plomb, J. Phys. (Paris), 1967, 28, 595. [all data]

Johnson, Cannell, et al., 1972
Johnson, S.E.; Cannell, D.; Lunacek, J.; Broida, H.P., New molecular constants for the ground electronic state of Pb2, J. Chem. Phys., 1972, 56, 5723. [all data]

Puri and Mohan, 1975
Puri, S.N.; Mohan, H., Thermal emission spectrum (intercombinational system) of Pb2, Indian J. Pure Appl. Phys., 1975, 13, 206-207. [all data]

Brewer and Chang, 1972
Brewer, L.; Chang, C.-A., Matrix isolation of Pb and Pb2, J. Chem. Phys., 1972, 56, 1728. [all data]

Shawhan, 1935
Shawhan, E.N., Band spectrum of Pb2 in absorption and emission, Phys. Rev., 1935, 48, 343. [all data]

Gingerich, Cocke, et al., 1976
Gingerich, K.A.; Cocke, D.L.; Miller, F., Thermodynamic investigation of the lead molecules Pb2, Pb3, and Pb4 by mass spectrometry, J. Chem. Phys., 1976, 64, 4027. [all data]

Notes

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