Barium monobromide


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
Δfgas-26.432kcal/molReviewChase, 1998Data last reviewed in December, 1974
Quantity Value Units Method Reference Comment
gas,1 bar64.627cal/mol*KReviewChase, 1998Data last reviewed in December, 1974

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. to 1400.1400. to 6000.
A 8.92208011.87260
B 0.179493-2.634080
C -0.0510740.855505
D 0.017249-0.064855
E -0.011489-1.112281
F -29.13719-32.04720
G 75.3071977.15930
H -26.43100-26.43100
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1974 Data last reviewed in December, 1974

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 compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to BaBr+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
5.04 ± 0.04EVALBelyaev, Gotkis, et al., 1990LL
5.0PEHildenbrand, 1977LLK

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

Data collected through February, 1976

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 (138)Ba79Br
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
E 2Σ+ 26865.9 219.9 H 0.35        E ↔ X V 26878.9 H
Harrington, 1942; Bradford, Jones, et al., 1975; Joshi and Gopal, 1975
D 2Σ+ 25670.9 209.1 H 0.53        D ↔ X V 25678.5 H
Harrington, 1942; Bradford, Jones, et al., 1975; Joshi and Gopal, 1975
C 2Π 19192.5 197.4 H 0.41        C ↔ X 1 R 19194.3 H
Hedfeld, 1931; Harrington, 1942; Bradford, Jones, et al., 1975; Joshi and Gopal, 1975
18650.9 197.4 H 0.41        C ↔ X 1 R 18652.7 H
Hedfeld, 1931; Harrington, 1942; Bradford, Jones, et al., 1975; Joshi and Gopal, 1975
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
B (2Σ+) 11325          B → X 
Bradford, Jones, et al., 1975
A (2Π) 10604 2          A → X 
Bradford, Jones, et al., 1975
9980 2          A → X 
Bradford, Jones, et al., 1975
X 2Σ+ 0 193.8 H 0.42         

Notes

1Radiative lifetime for the upper component of C 2Π is τ(v=8)= 16.5 ns Dagdigian, Cruse, et al., 1974 and for the lower component of C 2Π is τ(v=4)= 17.9 ns Dagdigian, Cruse, et al., 1974. A shorter lifetime of τ= 8 ns Capelle, Bradford, et al., 1973 by Capelle, Bradford, et al., 1973.
2Preliminary data, no details.
3Thermochemical value (flame photometry) Gurvich, Ryabova, et al., 1973. In agreement with a theoretical lower limit of 3.76 eV Krasnov and Karaseva, 1965.

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]

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]

Hildenbrand, 1977
Hildenbrand, D.L., Dissociation energies of CaBr, SrBr, BaBr, and BaCl from mass spectrometric studies of gaseous equilibria, J. Chem. Phys., 1977, 66, 3526. [all data]

Harrington, 1942
Harrington, Dissertation, University of California, California, 1942, 0. [all data]

Bradford, Jones, et al., 1975
Bradford, R.S., Jr.; Jones, C.R.; Southall, L.A.; Broida, H.P., Production efficiencies of electronically excited states of barium monohalides, J. Chem. Phys., 1975, 62, 2060. [all data]

Joshi and Gopal, 1975
Joshi, M.M.; Gopal, R., The C(2Π) → X(2Σ+) transition in thermal emission spectra of the diatomic alkaline earth bromides, Pramana, 1975, 4, 276. [all data]

Hedfeld, 1931
Hedfeld, K., Die bandenspektren der erdalkalihalogene, Z. Phys., 1931, 68, 610. [all data]

Dagdigian, Cruse, et al., 1974
Dagdigian, P.J.; Cruse, H.W.; Zare, R.N., Radiative lifetimes of the alkaline earth monohalides, J. Chem. Phys., 1974, 60, 2330. [all data]

Capelle, Bradford, et al., 1973
Capelle, G.A.; Bradford, R.S.; Broida, H.P., Chemiluminescence and laser photoluminescence of some diatomic metal halides, Chem. Phys. Lett., 1973, 21, 418. [all data]

Gurvich, Ryabova, et al., 1973
Gurvich, L.V.; Ryabova, V.G.; Khitrov, A.N., Determination of dissociation energies of alkaline-earth chlorides, bromides and hydroxides by flame photometry, Faraday Symp. Chem. Soc., 1973, 8, 83. [all data]

Krasnov and Karaseva, 1965
Krasnov, K.S.; Karaseva, N.V., Reevaluation of the spectroscopic dissociation energies of subhalides of the IIa group, Opt. Spectrosc. Engl. Transl., 1965, 19, 14, In original 30. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References