CH3Cl+

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 = 82400 ± 900 gas Potts, Lempka, et al., 1970

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 33170 ± 900 gas Turner, 1970
Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Utsunomiya, Kobayashi, et al., 1980

State:   A,B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 29800 Ar A,B-X Andrews, Miller, et al., 1979

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 20260 ± 900 gas Turner, 1970
Potts, Lempka, et al., 1970
Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Utsunomiya, Kobayashi, et al., 1980

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 CH3 s-stretch 2756 T gas TPI Shao, Li, et al., 2012
2 CH3 deform. 1243 ± 3 gas TPE Shao, Li, et al., 2012
2 CH3 deform. 1239.5 w m Ne IR Lugez, Forney, et al., 1997
3 CCl stretch 637 ± 3 gas TPE TPI Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Locht, Leyh, et al., 2001
Grutter and Merkt, 2011
Shao, Li, et al., 2012
3 CCl stretch 649.4 w m Ne IR Lugez, Forney, et al., 1997
3 CCl stretch 626.9 w m Ne IR Lugez, Forney, et al., 1997
e 5 Deformation 1554 T gas TPR TPI Ragle, Stenhouse, et al., 1970
Karlsson, Jadrny, et al., 1977
Grutter and Merkt, 2011
Shao, Li, et al., 2012
5 Deformation 1503.3 w Ne IR Lugez, Forney, et al., 1997
6 CH3 rock 1073 ± 50 gas PE TPE Potts, Lempka, et al., 1970
Karlsson, Jadrny, et al., 1977
Grutter and Merkt, 2011

Additional references: Jacox, 1994, page 239; Jacox, 1998, page 273; Jacox, 2003, page 259; Chau and Karlsson, 1977; Xu, Shao, et al., 2012

Notes

wWeak
mMedium
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]

Turner, 1970
Turner, D.W., Molecular Photoelectron Spectroscopy, Phil. Trans. Roy. Soc. (London) A268, 1970, 268, 1184, 7, https://doi.org/10.1098/rsta.1970.0059 . [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]

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]

Utsunomiya, Kobayashi, et al., 1980
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some aliphatic alcohols, amines, halides, Bull. Chem. Soc. Jpn., 1980, 53, 1216. [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]

Shao, Li, et al., 2012
Shao, Z.; Li, H.; Zhang, S.; Li, J.; Dai, Z.; Mo, Y.; Bae, Y.J.; Kim, M.S., The Jahn-Teller effect in CH[sub 3]Cl[sup +](X[sup 2]E): A combined high-resolution experimental measurement and ab initio theoretical study, J. Chem. Phys., 2012, 136, 6, 064308, https://doi.org/10.1063/1.3679655 . [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]

Locht, Leyh, et al., 2001
Locht, R.; Leyh, B.; Hoxha, A.; Dehareng, D.; Hottmann, K.; Jochims, H.W.; Baumgartel, H., About the photoionization of methyl chloride, Chem. Phys., 2001, 272, 2-3, 293, https://doi.org/10.1016/S0301-0104(01)00466-9 . [all data]

Grutter and Merkt, 2011
Grutter, M.; Merkt, F., Photoelectron spectroscopic study of the E «8855» e Jahn--Teller effect in the presence of a tunable spin--orbit interaction. II. Rovibronic analysis of the, Mol. Phys., 2011, 109, 17-18, 2251, https://doi.org/10.1080/00268976.2011.609143 . [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]

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]

Xu, Shao, et al., 2012
Xu, X.; Shao, Z.; Sun, W.; Zhou, Y.; Dai, Z.; Mo, Y., Jahn--Teller effect in : A combined photoelectron spectroscopic measurement and ab initio theoretical study, J. Mol. Spectrosc., 2012, 274, 35, https://doi.org/10.1016/j.jms.2012.04.001 . [all data]

Notes

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