Barium monofluoride


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
Δfgas-77.000kcal/molReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
gas,1 bar58.850cal/mol*KReviewChase, 1998Data last reviewed in December, 1972

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 1300.1300. to 6000.
A 8.50360010.81780
B 1.138571-1.948370
C -0.9111320.712082
D 0.277107-0.056805
E -0.041362-0.552460
F -79.71740-81.46030
G 68.6064170.73439
H -77.00010-77.00010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1972 Data last reviewed in December, 1972

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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BaF+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
4.59 ± 0.06EVALBelyaev, Gotkis, et al., 1990LL
4.7 ± 0.3EILau, Brittain, et al., 1989LL
4.8 ± 0.3EIHildenbrand, 1968RDSH
4.8 ± 0.3EIZmbov and Margrave, 1966RDSH
4.9 ± 0.3EIEhlert, Blue, et al., 1964RDSH

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]

Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S., Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O), Russ. J. Phys. Chem., 1990, 64, 773. [all data]

Lau, Brittain, et al., 1989
Lau, K.H.; Brittain, R.D.; Hildenbrand, D.L., High temperature thermodynamic studies of some gaseous thorium fluorides, J. Chem. Phys., 1989, 90, 1158. [all data]

Hildenbrand, 1968
Hildenbrand, D.L., Mass-spectrometric studies of bonding in the group IIA fluorides, J. Chem. Phys., 1968, 48, 3657. [all data]

Zmbov and Margrave, 1966
Zmbov, K.F.; Margrave, J.L., Mass-spectrometric studies at high temperatures. XI.The sublimation pressure of NdF, and the stabilities of gaseous NdF2 and NdF, J. Chem. Phys., 1966, 45, 3167. [all data]

Ehlert, Blue, et al., 1964
Ehlert, T.C.; Blue, G.D.; Green, J.W.; Margrave, J.L., Mass spectrometric studies at high temperatures. IV. Dissociation energies of the alkaline earth monofluorides, J. Chem. Phys., 1964, 41, 2250. [all data]


Notes

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