Difluoroboryl radical

Formula: BF₂
Molecular weight: 48.808
IUPAC Standard InChI: InChI=1S/BF2/c2-1-3
IUPAC Standard InChIKey: OKZIUSOJQLYFSE-UHFFFAOYSA-N
CAS Registry Number: 13842-55-2
Chemical structure:
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Vibrational and/or electronic energy levels

State: C

Energy (cm^-1)		Med.	References


T_x = 63100	T	gas	Atkinson, Irikura, et al., 1997

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


Π_g	2	Bend	600 ± 50	gas	MPI	Atkinson, Irikura, et al., 1997

State: B

Energy (cm^-1)		Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_x = 59100	T	gas	B-A,X	190	650	Hesser and Dressler, 1967
						Suto, Ye, et al., 1990
						Creasey, Hatherly, et al., 1993
						Atkinson, Irikura, et al., 1997

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_x = 35100	gas	A-X	220	650	Hesser and Dressler, 1967
					Suto, Ye, et al., 1990
					Creasey, Hatherly, et al., 1993
					Atkinson, Irikura, et al., 1997
					Yang, Ellis, et al., 2011

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


a₁	2	Bend	310 ± 20	gas	MPI	Atkinson, Irikura, et al., 1997

State: X

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


a₁	1	Sym. stretch	1153 ± 2		gas	LF	Yang, Ellis, et al., 2011
	1	Sym. stretch	1151.4	vs	Ne	IR	Jacox and Thompson, 1995
	2	Bend	525 ± 2		gas	EM LF	Creasey, Hatherly, et al., 1993 Yang, Ellis, et al., 2011
	2	Bend	523.7	m	Ne	IR	Jacox and Thompson, 1995
b₂	3	Asym. stretch	1393.5	vs	Ne	IR	Jacox and Thompson, 1995
	3	Asym. stretch	1389.9		Ar	IR	Hassanzadeh and Andrews, 1993
	3	Asym. stretch	1384.8		N₂	IR	Hassanzadeh and Andrews, 1993

Additional references: Jacox, 1994, page 89; Jacox, 1998, page 191

Notes

Medium

Very strong

Tentative assignment or approximate value

Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Atkinson, Irikura, et al., 1997
Atkinson, D.B.; Irikura, K.K.; Hudgens, J.W., Electronic Structure of the BF, J. Phys. Chem. A, 1997, 101, 11, 2045, https://doi.org/10.1021/jp9623251 . [all data]

Hesser and Dressler, 1967
Hesser, J.E.; Dressler, K., Radiative Lifetimes of Ultraviolet Emission Systems Excited in BF3, CF4, and SiF4, J. Chem. Phys., 1967, 47, 9, 3443, https://doi.org/10.1063/1.1712410 . [all data]

Suto, Ye, et al., 1990
Suto, M.; Ye, C.; Lee, L.C., Photoabsorption and fluorescence spectroscopy of BF_{3} in the extreme-vacuum-ultraviolet region, Phys. Rev. A, 1990, 42, 1, 424, https://doi.org/10.1103/PhysRevA.42.424 . [all data]

Creasey, Hatherly, et al., 1993
Creasey, J.C.; Hatherly, P.A.; Jones, H.M.; Lambert, I.R.; Tuckett, R.P., Vacuum UV fluorescence excitation spectroscopy of BF, Mol. Phys., 1993, 78, 4, 837, https://doi.org/10.1080/00268979300100571 . [all data]

Yang, Ellis, et al., 2011
Yang, J.; Ellis, B.; Clouthier, D.J., The complex spectrum of a "simple" free radical: The A-X band system of the jet-cooled boron difluoride free radical, J. Chem. Phys., 2011, 135, 9, 094305, https://doi.org/10.1063/1.3624528 . [all data]

Jacox and Thompson, 1995
Jacox, M.E.; Thompson, W.E., Matrix isolation study of the interaction of excited neon atoms with BF3: Infrared spectra of BF2, BF+2, BF+3, and BF-3, J. Chem. Phys., 1995, 102, 12, 4747, https://doi.org/10.1063/1.469523 . [all data]

Hassanzadeh and Andrews, 1993
Hassanzadeh, P.; Andrews, L., Reaction of halogens with laser-ablated boron: infrared spectra of BXn (X = F, Cl, Br, I; n = 1, 2, 3) in solid argon, J. Phys. Chem., 1993, 97, 19, 4910, https://doi.org/10.1021/j100121a008 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [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, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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