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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
Δfgas79.500kcal/molReviewChase, 1998Data last reviewed in September, 1963
Quantity Value Units Method Reference Comment
gas,1 bar67.239cal/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 (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 6000.
A 8.934730
B 0.394538
C -0.001759
D 0.000150
E -0.020381
F 76.75041
G 77.82051
H 79.50010
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

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]


Notes

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