CH3Br+

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:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 75500 ± 900 gas Potts, Lempka, et al., 1970

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 31930 ± 900 gas Potts, Lempka, et al., 1970
Karlsson, Jadrny, et al., 1977
Tx = 37400 Ar B-X Andrews, Miller, et al., 1979

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 19820 ± 900 gas Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Tx = 28700 Ar A-X Andrews, Miller, et al., 1979

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 1 CH stretch 3077 ± 4 gas PE TPE Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Urban and Bondybey, 2002
1 CH stretch 3121.9 w m Ne IR Lugez, Forney, et al., 1997
2 CH stretch 2901.8 ± 0.5 gas PE TPE Karlsson, Jadrny, et al., 1977
Urban and Bondybey, 2002
Xing, Wang, et al., 2008
2 CH stretch 2909.5 s Ne IR Lugez, Forney, et al., 1997
3 Deformation 1368 T gas TPE Urban and Bondybey, 2002
3 Deformation 1417.3 w m Ne IR Lugez, Forney, et al., 1997
3 Deformation 1412.5 w m Ne IR Lugez, Forney, et al., 1997
4 Deformation 1281 gas PE TPE Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Urban and Bondybey, 2002
Shi, Wang, et al., 2004
4 Deformation 1296.7 m Ne IR Lugez, Forney, et al., 1997
5 Deformation 828 ± 4 gas PE TPE Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Urban and Bondybey, 2002
5 Deformation 815.0 w Ne IR Lugez, Forney, et al., 1997
6 CBr stretch 518 ± 4 gas PE TPE Karlsson, Jadrny, et al., 1977
Urban and Bondybey, 2002
6 CBr stretch 549.7 w m Ne IR Lugez, Forney, et al., 1997
6 CBr stretch 537.7 w m Ne IR Lugez, Forney, et al., 1997
a 7 CH2 a-stretch 3055.3 m Ne IR Lugez, Forney, et al., 1997
8 Deformation 1276.8 w m Ne IR Lugez, Forney, et al., 1997
9 Deformation 650.8 m Ne IR Lugez, Forney, et al., 1997

Additional references: Jacox, 1994, page 239; Jacox, 1998, page 274; Chau and Karlsson, 1977

Notes

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

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

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [all data]

Karlsson, Jadrny, et al., 1977
Karlsson, L.; Jadrny, R.; Mattsson, L.; Chau, F.T.; Siegbahn, K., Vibrational and Vibronic Structure in the Valence Electron Spectra of CH, Phys. Scripta, 1977, 16, 5-6, 224, https://doi.org/10.1088/0031-8949/16/5-6/010 . [all data]

Andrews, Miller, et al., 1979
Andrews, L.; Miller, J.H.; Prochaska, E.S., Matrix photoionization of methyl halides. Ultraviolet spectra of the parent cations and infrared evidence for intramolecular hydrogen-bonded parent anions in solid argon, J. Am. Chem. Soc., 1979, 101, 24, 7158, https://doi.org/10.1021/ja00518a005 . [all data]

Ragle, Stenhouse, et al., 1970
Ragle, J.L.; Stenhouse, I.A.; Frost, D.C.; McDowell, C.A., Valence-shell ionization potentials of halomethanes by photoelectron spectroscopy. I. CH3Cl, CH3Br, CH3I. Vibrational frequencies and vibronic interaction in CH3Br+ and CH3Cl+, J. Chem. Phys., 1970, 53, 178. [all data]

Urban and Bondybey, 2002
Urban, B.; Bondybey, V.E., One-color multiphoton threshold photoelectron spectra of methyl bromide, and their comparison with methyl iodide, J. Chem. Phys., 2002, 116, 12, 4938, https://doi.org/10.1063/1.1447219 . [all data]

Lugez, Forney, et al., 1997
Lugez, C.L.; Forney, D.; Jacox, M.E.; Irikura, K.K., The vibrational spectra of molecular ions isolated in solid neon. XIV. CH[sub 3]F[sup +], CH[sub 3]Cl[sup +], CH[sub 3]Br[sup +], and their ylidion isomers, J. Chem. Phys., 1997, 106, 2, 489, https://doi.org/10.1063/1.473390 . [all data]

Xing, Wang, et al., 2008
Xing, X.; Wang, P.; Reed, B.; Back, S.-J.; Ng, C.Y., Infrared Vacuum-Ultraviolet Laser Pulsed Field Ionization-Photoelectron Study of CH, J. Phys. Chem. A, 2008, 112, 39, 9277, https://doi.org/10.1021/jp8019649 . [all data]

Shi, Wang, et al., 2004
Shi, Y.J.; Wang, S.; Jakubek, Z.J.; Simard, B., A vacuum ultraviolet laser single-photon zero kinetic energy photoelectron spectroscopic study of the, Can. J. Chem., 2004, 82, 6, 1077, https://doi.org/10.1139/v04-051 . [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]

Chau and Karlsson, 1977
Chau, F.T.; Karlsson, L., Vibronic Interaction in Molecules and Ions. II., Phys. Scripta, 1977, 16, 5-6, 258, https://doi.org/10.1088/0031-8949/16/5-6/014 . [all data]

Notes

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