Dibromoborane

Formula: BBr₂H
Molecular weight: 171.627
IUPAC Standard InChI: InChI=1S/BBr2H/c2-1-3/h1H
IUPAC Standard InChIKey: WVJGKRMLCSNRKG-UHFFFAOYSA-N
CAS Registry Number: 13709-65-4
Chemical structure:
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Other data available:
- Gas phase thermochemistry data
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Gas phase ion energetics data

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.92 ± 0.02	PE	Frost, Kirby, et al., 1981	LLK

Vibrational and/or electronic energy levels

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Data compiled by: Marilyn E. Jacox

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


a₁	1	BH stretch	2622.4	gas	IR	Lynds and Bass, 1964 Lynds, Wolfram, et al., 1965 Wason and Porter, 1965
	2	BBr₂ s-stretch	595	gas	IR	Lynds, Wolfram, et al., 1965
b₁	4	OPLA	731	gas	IR	Lynds, Wolfram, et al., 1965
b₂	5	BBr₂ a-stretch	1036	gas	IR	Lynds, Wolfram, et al., 1965 Wason and Porter, 1965
	5	BBr₂ a-stretch	1032	Ar	IR	Miller and Andrews, 1980
	6	HBBr deform.	772	gas	IR	Lynds, Wolfram, et al., 1965 Wason and Porter, 1965
	6	HBBr deform.	768	Ar	IR	Miller and Andrews, 1980

Additional references: Jacox, 1998, page 238

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Frost, Kirby, et al., 1981
Frost, D.C.; Kirby, C.; McDowell, C.A.; Westwood, N.P.C., Preparation and HeI photoelectron spectra of the dihaloboranes, HBX2 (X = Cl and Br), J. Am. Chem. Soc., 1981, 103, 4428. [all data]

Lynds and Bass, 1964
Lynds, L.; Bass, C.D., Infrared Spectrum of ν2 of Dibromoborane and Dibromoborane-d, J. Chem. Phys., 1964, 41, 10, 3165, https://doi.org/10.1063/1.1725691 . [all data]

Lynds, Wolfram, et al., 1965
Lynds, L.; Wolfram, T.; Bass, C.D., Infrared Spectrum and Vibrational Analysis of Dibromoborane and Dibromoborane-d, J. Chem. Phys., 1965, 43, 11, 3775, https://doi.org/10.1063/1.1696562 . [all data]

Wason and Porter, 1965
Wason, S.K.; Porter, R.F., None, J. Phys. Chem., 1965, 69, 7, 2461, https://doi.org/10.1021/j100891a502 . [all data]

Miller and Andrews, 1980
Miller, J.H.; Andrews, L., Matrix photoionization and radiolysis of boron trihalides. Infrared and ultraviolet spectra of boron trichloride(1+) and boron tribromide(1+) and infrared spectra of boron dichloride and boron dibromide, J. Am. Chem. Soc., 1980, 102, 15, 4900, https://doi.org/10.1021/ja00535a011 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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