Boron monobromide


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
Δfgas55.999kcal/molReviewChase, 1998Data last reviewed in December, 1964
Quantity Value Units Method Reference Comment
gas,1 bar53.767cal/mol*KReviewChase, 1998Data last reviewed in December, 1964

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 8.694231
B 0.304177
C -0.056425
D 0.004797
E -0.087201
F 53.10261
G 63.71011
H 56.00010
ReferenceChase, 1998
Comment Data last reviewed in December, 1964

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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BBr+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
10.7 ± 0.2EIKoski, Kaufman, et al., 1959

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 March, 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 11B79Br
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A 1Π 33935.3 637.63 HQ 17.58 1 2 1.10 [0.496] 3 (0.009)  [0.00000128]  1.87 A ↔ X 4 VR 33908.6 HQ
missing citation; missing citation; Wentink and Spindler, 1970
a 3Π2 
a 3Π1 18851.48 757.10 HQ 4.81 -0.004 0.5083 3 0.0036  [9.3E-07]  1.853 a → X V 18887.55 Z
missing citation; missing citation
a 3Π0+ 18673.83 759.80 4.80  0.5062 3 0.0036     a → X 18711.25 Z
missing citation; missing citation
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
X 1Σ+ 0 684.31 HQ 3.52  0.4894 3 0.0035  1.0E-06  1.8882  

Notes

1ωeze = -0.250. This state may have a potential hump of ~0.13 eV; see Barrow, 1960.
2Predissociation above v = 4 Miescher, 1935.
3The rotational constants refer to the normal 79,81Br isotopic mixture.
4Radiative lifetime τ(v=0,1)= 26 ns Lutz and Hesser, 1968, corresponding to an absorption value of f00= 0.10.
5From the predissociation in A 1Π; see Barrow, 1960.

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]

Koski, Kaufman, et al., 1959
Koski, W.S.; Kaufman, J.J.; Pachucki, C.F., A mass spectroscopic appearance potential study of some boron trihalides, J. Am. Chem. Soc., 1959, 81, 1326. [all data]

Wentink and Spindler, 1970
Wentink, T., Jr.; Spindler, R.J., Jr., Franck-Condon Factors and r-centroids for No+, CP, SiF, BF, BCl, and BBr, J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 609. [all data]

Barrow, 1960
Barrow, R.F., Dissociation energies of the gaseous monohalides of boron, aluminium, gallium, indium, and thallium, Trans. Faraday Soc., 1960, 56, 952. [all data]

Miescher, 1935
Miescher, E., Bandenspektren von bor- und aluminium-halogeniden, Helv. Phys. Acta, 1935, 8, 279. [all data]

Lutz and Hesser, 1968
Lutz, B.L.; Hesser, J.E., Radiative lifetimes of BBr and of ultraviolet emissions in electron-beam excited BBr3 gas, J. Chem. Phys., 1968, 48, 3042. [all data]


Notes

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