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HCBr radical


Gas phase ion energetics data

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

View reactions leading to CHBr+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.4540 ± 0.0050LPESGilles, Ervin, et al., 1992Triplet state is 2.6±2.2 kcal/mol higher in energy than neutral singlet
1.5560 ± 0.0080LPESMurray, Leopold, et al., 1988Singlet-triplet splitting in neutral < 9 kcal/mol

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 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.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 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

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

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 «mu»m, 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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References