HCBr radical

Formula: CHBr
Molecular weight: 92.923
IUPAC Standard InChI: InChI=1S/CHBr/c1-2/h1H
IUPAC Standard InChIKey: PRCFIJGWTCBHPP-UHFFFAOYSA-N
CAS Registry Number: 17141-28-5
Chemical structure:
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Vibrational and/or electronic energy levels

State: A

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


T_o = 11972.43	gas	A-X	550	955	Xu, Beran, et al., 1994
					Chang and Sears, 1996
					Marr, North, et al., 1998
					Marr and Sears, 1999
					Chang, Costen, et al., 2000
					Yu, Gonzalez-Lezana, et al., 2001
					Chang, Guss, et al., 2003
					Lee, Liu, et al., 2003
					Hall, Sears, et al., 2006
					Deselnicu, Tao, et al., 2006

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


a'	1	CH stretch	3100	T	gas	LF	Deselnicu, Tao, et al., 2006
	2	Bend	828.7		gas	LF	Xu, Beran, et al., 1994 Marr and Sears, 1999
	3	CBr stretch	783	T	gas	LF	Xu, Beran, et al., 1994

State: a

Energy (cm^-1)	Med.	References


T_o = 2005 ± 2	gas	Tsai, Chen, et al., 2001
		Lee, Liu, et al., 2003
		Chang, Hsu, et al., 2005

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


a'	2	Bend	994	gas	LF	Tsai, Chen, et al., 2001 Chang, Hsu, et al., 2005
	3	CBr stretch	733	gas	PE LF	Gilles, Ervin, et al., 1992 Tsai, Chen, et al., 2001 Chang, Hsu, et al., 2005

State: X

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


a'	1	CH stretch	2902 ± 4	gas	LF	Lee, Liu, et al., 2003 Chang, Hsu, et al., 2005
	2	Bend	1117.70	gas	LF AB	Tsai, Chen, et al., 2001 Yu, Gonzalez-Lezana, et al., 2001 Chang, Guss, et al., 2003 Chang, Hsu, et al., 2005
	3	CBr stretch	676.44	gas	PE LF	Murray, Leopold, et al., 1988 Gilles, Ervin, et al., 1992 Tsai, Chen, et al., 2001 Chang, Guss, et al., 2003 Chang, Hsu, et al., 2005

Additional references: Jacox, 1994, page 43; Jacox, 1998, page 149; Jacox, 2003, page 38; Marr and Sears, 1999, 2; Chen, Tsai, et al., 2001; Duan, Hassouna, et al., 2003; Tao, Deselnicu, et al., 2006

Notes

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

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

Xu, Beran, et al., 1994
Xu, S.; Beran, K.A.; Harmony, M.D., Production of Halomethylenes in Free-Jet Expansions from a Hot Nozzle: Identification and Characterization of HCBr and DCBr by Laser-Induced Fluorescence Excitation Spectroscopy, J. Phys. Chem., 1994, 98, 11, 2742, https://doi.org/10.1021/j100062a008 . [all data]

Chang and Sears, 1996
Chang, B.-C.; Sears, T.J., High resolution near-infrared electronic spectroscopy of HCBr, J. Chem. Phys., 1996, 105, 6, 2135, https://doi.org/10.1063/1.472086 . [all data]

Marr, North, et al., 1998
Marr, A.J.; North, S.W.; Sears, T.J.; Ruslen, L.; Field, R.W., Laser Transient Absorption Spectroscopy of Bromomethylene, J. Mol. Spectrosc., 1998, 188, 1, 68, https://doi.org/10.1006/jmsp.1997.7500 . [all data]

Marr and Sears, 1999
Marr, A.J.; Sears, T.J., Vibronic Reassignment of theÃ1A´´ ←X1A´ Band System of Bromomethylene, J. Mol. Spectrosc., 1999, 195, 2, 367, https://doi.org/10.1006/jmsp.1999.7842 . [all data]

Chang, Costen, et al., 2000
Chang, B.-C.; Costen, M.L.; Marr, A.J.; Ritchie, G.; Hall, G.E.; Sears, T.J., Near-Infrared Spectroscopy of Bromomethylene in a Slit-Jet Expansion, J. Mol. Spectrosc., 2000, 202, 1, 131, https://doi.org/10.1006/jmsp.2000.8116 . [all data]

Yu, Gonzalez-Lezana, et al., 2001
Yu, H.-G.; Gonzalez-Lezana, T.; Marr, A.J.; Muckerman, J.T.; Sears, T.J., Experimental and theoretical studies of the near-infrared spectrum of bromomethylene, J. Chem. Phys., 2001, 115, 12, 5433, https://doi.org/10.1063/1.1386812 . [all data]

Chang, Guss, et al., 2003
Chang, B.-C.; Guss, J.; Sears, T.J., Hot bands in the spectrum of HCBr, J. Mol. Spectrosc., 2003, 219, 1, 136, https://doi.org/10.1016/S0022-2852(03)00032-8 . [all data]

Lee, Liu, et al., 2003
Lee, C.-L.; Liu, M.-L.; Chang, B.-C., Electronic spectroscopy of bromomethylenes in a supersonic free jet expansion, Phys. Chem. Chem. Phys., 2003, 5, 18, 3859, https://doi.org/10.1039/b307449h . [all data]

Hall, Sears, et al., 2006
Hall, G.E.; Sears, T.J.; Yu, H.-G., Rotationally resolved spectrum of the band of HCBr, J. Mol. Spectrosc., 2006, 235, 1, 125, https://doi.org/10.1016/j.jms.2005.08.017 . [all data]

Deselnicu, Tao, et al., 2006
Deselnicu, M.; Tao, C.; Mukarakate, C.; Reid, S.A., Fluorescence excitation and emission spectroscopy of the A [sup 1]A[sup ´´]←X [sup 1]A[sup ´] system of CHBr, J. Chem. Phys., 2006, 124, 13, 134302, https://doi.org/10.1063/1.2183302 . [all data]

Tsai, Chen, et al., 2001
Tsai, T.-C.; Chen, C.-W.; Chang, B.-C., Laser excitation and dispersed fluorescence spectra of the HCBr A--X vibronic transition, J. Chem. Phys., 2001, 115, 2, 766, https://doi.org/10.1063/1.1379583 . [all data]

Chang, Hsu, et al., 2005
Chang, W.-Z.; Hsu, H.-J.; Chang, B.-C., New dispersed fluorescence spectra of HCBr and DCBr, Chem. Phys. Lett., 2005, 413, 1-3, 25, https://doi.org/10.1016/j.cplett.2005.07.059 . [all data]

Gilles, Ervin, et al., 1992
Gilles, M.K.; Ervin, K.M.; Ho, J.; Lineberger, W.C., Negative Ion Photoelectron Spectroscopy of HCF-, HCCl-, HCBr-, and HCI- - Photoelectron Angular Distributions and Neutral Triplet Excitation, J. Phys. Chem., 1992, 96, 3, 1130, https://doi.org/10.1021/j100182a021 . [all data]

Murray, Leopold, et al., 1988
Murray, K.K.; Leopold, D.G.; Miller, T.M.; Lineberger, W.C., Photoelectron Spectroscopy of the Halocarbene Anions HCF^-, HCCl^-, HCBr^-, HCI^-, CF₂^-, and CCl₂^-, J. Chem. Phys., 1988, 89, 9, 5442, https://doi.org/10.1063/1.455596 . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Marr and Sears, 1999, 2
Marr, A.J.; Sears, T.J., Hot band spectroscopy of DCBr near 0.96 μm, Mol. Phys., 1999, 97, 1-2, 185, https://doi.org/10.1080/00268979909482821 . [all data]

Chen, Tsai, et al., 2001
Chen, C.-W.; Tsai, T.-C.; Chang, B.-C., Visible Wavelength Electronic Spectroscopy of the DCBr Ã--X Vibronic Transition, J. Mol. Spectrosc., 2001, 209, 2, 254, https://doi.org/10.1006/jmsp.2001.8429 . [all data]

Duan, Hassouna, et al., 2003
Duan, C.; Hassouna, M.; Walters, A.; Godon, M.; Drean, P.; Bogey, M., Rotational spectrum of HCBr produced by 193-nm laser photolysis of bromoform, J. Mol. Spectrosc., 2003, 220, 1, 113, https://doi.org/10.1016/S0022-2852(03)00105-X . [all data]

Tao, Deselnicu, et al., 2006
Tao, C.; Deselnicu, M.; Mukarakate, C.; Reid, S.A., Electronic spectroscopy of the A [sup 1]A[sup ´´]↔X [sup 1]A[sup ´] system of CDBr, J. Chem. Phys., 2006, 125, 9, 094305, https://doi.org/10.1063/1.2348639 . [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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