Barium monobromide
- Formula: BaBr
- Molecular weight: 217.231
- CAS Registry Number: 14832-97-4
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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 | -110.59 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 270.40 | J/mol*K | Review | Chase, 1998 | Data 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 (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 1400. | 1400. to 6000. |
|---|---|---|
| A | 37.32998 | 49.67496 |
| B | 0.750999 | -11.02099 |
| C | -0.213694 | 3.579433 |
| D | 0.072170 | -0.271352 |
| E | -0.048071 | -4.653780 |
| F | -121.9100 | -134.0855 |
| G | 315.0853 | 322.8345 |
| H | -110.5873 | -110.5873 |
| Reference | Chase, 1998 | Chase, 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 ± 0.04 | EVAL | Belyaev, Gotkis, et al., 1990 | LL |
| 5.0 | PE | Hildenbrand, 1977 | LLK |
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
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
| 1 | Radiative 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. |
| 2 | Preliminary data, no details. |
| 3 | Thermochemical 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
- Symbols used in this document:
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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