Boron monobromide

Formula: BBr
Molecular weight: 90.715
IUPAC Standard InChI: InChI=1S/BBr/c1-2
IUPAC Standard InChIKey: YXCOLLAIMXVWPV-UHFFFAOYSA-N
CAS Registry Number: 19961-29-6
Chemical structure:
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	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
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	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 V_R	33908.6 H^Q
A ¹Π	↳missing citation; missing citation; Wentink and Spindler, 1970
a ³Π₂
a ³Π₁	18851.4₈	757.10 H^Q	4.81	-0.004	0.5083 3	0.0036		[9.3E-0₇]		1.853	a → X V	18887.5₅ Z
a ³Π₁	↳missing citation; missing citation
a ³Π₀₊	18673.8₃	759.80	4.8₀		0.5062 3	0.0036					a → X	18711.2₅ Z
a ³Π₀₊	↳missing citation; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
X ¹Σ⁺	0	684.31 H^Q	3.52		0.4894 3	0.0035		1.0E-06		1.888₂

Notes

ω_ez_e = -0.250. This state may have a potential hump of ~0.13 eV; see Barrow, 1960.

Predissociation above v = 4 Miescher, 1935.

The rotational constants refer to the normal ^79,81Br isotopic mixture.

Radiative lifetime τ(v=0,1)= 26 ns Lutz and Hesser, 1968, corresponding to an absorption value of f₀₀= 0.10.

From the predissociation in A ¹Π; see Barrow, 1960.

References

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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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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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