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C6H5Cl+


Vibrational and/or electronic energy levels

Go To: Top, 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: Marilyn E. Jacox

State:   K


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

To = 63450 ± 25 gas Potts, Edvardsson, et al., 2000


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

a1 CH stretch 2905 ± 10 gas PE Potts, Edvardsson, et al., 2000
(1) 970 ± 10 gas PE Potts, Edvardsson, et al., 2000
(12) 565 T gas PE Potts, Edvardsson, et al., 2000

State:   J


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

Tx = 55950 ± 800 gas Potts, Edvardsson, et al., 2000


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

a1 CH stretch 2820 ± 10 gas PE Potts, Edvardsson, et al., 2000

State:   I


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

Tx = 50700 ± 100 gas Potts, Edvardsson, et al., 2000

State:   H


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

Tx = 45460 ± 800 gas Potts, Edvardsson, et al., 2000

State:   G


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

Tx = 42150 ± 100 gas Potts, Edvardsson, et al., 2000

State:   F


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

Tx = 33520 ± 160 gas Potts, Lyus, et al., 1980
Potts, Edvardsson, et al., 2000
To = 33410 ± 10 Ar F-X 287 300 Friedman, Kelsall, et al., 1984


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

a1 710 ± 10 Ar AB Friedman, Kelsall, et al., 1984

State:   E


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

Tx = 30930 ± 800 gas Potts, Lyus, et al., 1980
Potts, Edvardsson, et al., 2000

State:   D


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

Tx = 25850 ± 100 gas Baker, May, et al., 1968
Potts, Lyus, et al., 1980
Potts, Edvardsson, et al., 2000

State:   C


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

Tod = 21240 ± 25 gas Baker, May, et al., 1968
Dunbar, Teng, et al., 1979
Potts, Lyus, et al., 1980
Ripoche, Dimicoli, et al., 1988
Morlet-Savary, Cossart-Magos, et al., 1990
Morlet-Savary, Dimicoli, et al., 1992
Potts, Edvardsson, et al., 2000
To = 20750 ± 10 Ar C-X 434 482 Keelan and Andrews, 1981
Friedman, Kelsall, et al., 1984


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

a1 1370 ± 10 Ar AB Friedman, Kelsall, et al., 1984
(1) 936 ± 10 gas PE Potts, Lyus, et al., 1980
Potts, Edvardsson, et al., 2000
(1) 900 ± 10 Ar AB Friedman, Kelsall, et al., 1984
(12) 734 ± 10 gas PE Potts, Edvardsson, et al., 2000
370 ± 10 Ar AB Friedman, Kelsall, et al., 1984

State:   B


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

To = 18227 ± 8 gas B-X 485 580 Baker, May, et al., 1968
Potts, Lyus, et al., 1980
Ripoche, Dimicoli, et al., 1988
Morlet-Savary, Cossart-Magos, et al., 1990
Morlet-Savary, Dimicoli, et al., 1992
Anand, Hofstein, et al., 1999
Potts, Edvardsson, et al., 2000
Ar B-X 498 534 Friedman, Kelsall, et al., 1984


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

a1 5 1488 gas PRI Anand, Hofstein, et al., 1999
6 1173 gas TPI Kwon, Kim, et al., 2002
7 1080 gas TPI Kwon, Kim, et al., 2002
8 1009 gas PRI TPI Anand, Hofstein, et al., 1999
Kwon, Kim, et al., 2002
9 961 gas PE TPI Potts, Lyus, et al., 1980
Ripoche, Dimicoli, et al., 1988
Potts, Edvardsson, et al., 2000
Kwon, Kim, et al., 2002
9 930 ± 10 Ar AB Friedman, Kelsall, et al., 1984
10 725 gas PRI TPI Anand, Hofstein, et al., 1999
Kwon, Kim, et al., 2002
11 382 gas PE TPI Potts, Lyus, et al., 1980
Ripoche, Dimicoli, et al., 1988
Anand, Hofstein, et al., 1999
Potts, Edvardsson, et al., 2000
Kwon, Kim, et al., 2002
a2 14 329 gas TPI Kwon, Kim, et al., 2002
b1 16 899 gas TPI Kwon, Kim, et al., 2002
17 759 gas TPI Kwon, Kim, et al., 2002
18 667 gas TPI Kwon, Kim, et al., 2002
20 153 gas TPI Kwon, Kim, et al., 2002
b2 (3) 1279 gas PRI TPI Anand, Hofstein, et al., 1999
Kwon, Kim, et al., 2002
(6b) 546 gas PRI TPI Anand, Hofstein, et al., 1999
Kwon, Kim, et al., 2002
(16b) 439 gas TPI Kwon, Kim, et al., 2002
30 246 gas TPI Kwon, Kim, et al., 2002

State:   A


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

Tx = 5170 ± 25 gas Baker, May, et al., 1968
Potts, Lyus, et al., 1980
Potts, Edvardsson, et al., 2000


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

a1 1000 ± 10 gas PE Potts, Lyus, et al., 1980
Potts, Edvardsson, et al., 2000

State:   X


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

a1 4 1554 gas PE Potts, Edvardsson, et al., 2000
Kwon, Kim, et al., 2002
5 1411 gas TPE TPI Potts, Lyus, et al., 1980
Wright, Panov, et al., 1995
Kwon, Kim, et al., 2002
6 1193 gas TPI TPE Walter, Scherm, et al., 1991
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
Kwon, Kim, et al., 2002
7 1118 gas TPE PI Walter, Scherm, et al., 1991
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
Potts, Edvardsson, et al., 2000
7 1118 gas TPI Kwon, Kim, et al., 2002
8 991 gas TPI TPE Walter, Scherm, et al., 1991
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
Kwon, Kim, et al., 2002
9 974 gas TPI TPE Walter, Scherm, et al., 1991
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
Kwon, Kim, et al., 2002
10 713 gas TPI TPE Walter, Scherm, et al., 1991
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
Kwon, Kim, et al., 2002
11 419 gas TPE PF Potts, Lyus, et al., 1980
Anderson, Rider, et al., 1982
Ripoche, Dimicoli, et al., 1988
Ripoche, Asselin, et al., 1993
Asselin, Gouzerh, et al., 1993
11 419 gas MPI TPI Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
Potts, Edvardsson, et al., 2000
Kwon, Kim, et al., 2002
a2 14 348 ± 2 gas MPI Ripoche, Asselin, et al., 1993
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
b1 15 909 ± 20 gas TPE Asselin, Gouzerh, et al., 1993
16 812 ± 20 gas TPE Asselin, Gouzerh, et al., 1993
17 771 gas TPI Kwon, Kim, et al., 2002
18 603 ± 20 gas TPE TPI Asselin, Gouzerh, et al., 1993
Kwon, Kim, et al., 2002
19 394 ± 2 T gas TPE Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
20 141 gas TPI TPE Ripoche, Asselin, et al., 1993
Asselin, Gouzerh, et al., 1993
Kwon, Kim, et al., 2002
b2 (8b) 1593 gas TPI Kwon, Kim, et al., 2002
29 527 gas MPI TPE Walter, Scherm, et al., 1991
Ripoche, Asselin, et al., 1993
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Lembach and Brutschy, 1997
29 527 gas TPI Kwon, Kim, et al., 2002
30 286 gas TPI TPE Ripoche, Asselin, et al., 1993
Asselin, Gouzerh, et al., 1993
Wright, Panov, et al., 1995
Kwon, Kim, et al., 2002

Additional references: Jacox, 1994, page 428; Jacox, 1998, page 368; Jacox, 2003, page 397

Notes

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.
dPhotodissociation threshold

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, Edvardsson, et al., 2000
Potts, A.W.; Edvardsson, D.; Karlsson, L.; Holland, D.M.P.; MacDonald, M.A.; Hayes, M.A.; Maripuu, R.; Siegbahn, K.; von Niessen, W., An experimental and theoretical study of the valence shell photoelectron spectrum of the chlorobenzene molecule, Chem. Phys., 2000, 254, 2-3, 385, https://doi.org/10.1016/S0301-0104(00)00023-9 . [all data]

Potts, Lyus, et al., 1980
Potts, A.W.; Lyus, M.L.; Lee, E.P.F.; Fattahallah, G.H., J. Chem. Soc., 1980, Faraday Trans. 2 76, 556. [all data]

Friedman, Kelsall, et al., 1984
Friedman, R.S.; Kelsall, B.J.; Andrews, L., Vibronic absorption spectra of dichloro- and dibromobenzene cations in solid argon at 20 K, J. Phys. Chem., 1984, 88, 10, 1944, https://doi.org/10.1021/j150654a006 . [all data]

Baker, May, et al., 1968
Baker, A.D.; May, D.P.; Turner, D.W., J. Chem. Soc. B, 1968, 22. [all data]

Dunbar, Teng, et al., 1979
Dunbar, R.C.; Teng, H.H.-I.; Fu, E.W., Photodissociation spectroscopy of halogen-substituted benzene ions, J. Am. Chem. Soc., 1979, 101, 22, 6506, https://doi.org/10.1021/ja00516a004 . [all data]

Ripoche, Dimicoli, et al., 1988
Ripoche, X.; Dimicoli, I.; Le Calve, J.; Piuzzi, F.; Botter, R., Resonance-enhanced multiphoton dissociation spectroscopy of the forbidden B<--X transition of the gas phase chlorobenzene cation, Chem. Phys., 1988, 124, 2, 305, https://doi.org/10.1016/0301-0104(88)87160-X . [all data]

Morlet-Savary, Cossart-Magos, et al., 1990
Morlet-Savary, F.; Cossart-Magos, C.; Dimicoli, I.; Le Calve, J.; Mons, M.; Piuzzi, F., Rotational band contour analysis in the B<--X system of chlorobenzene cation prepared by resonance enhanced multiphoton ionization, Chem. Phys., 1990, 142, 2, 219, https://doi.org/10.1016/0301-0104(90)89083-3 . [all data]

Morlet-Savary, Dimicoli, et al., 1992
Morlet-Savary, F.; Dimicoli, I.; Cossart-Magos, C.; Parkin, J.E., Characterization of the B<--X transition of the chlorobenzene cation prepared in non-equilibrium rotational population distributions by resonance-enhanced multiphoton ionization, Chem. Phys., 1992, 159, 2, 303, https://doi.org/10.1016/0301-0104(92)80079-B . [all data]

Keelan and Andrews, 1981
Keelan, B.W.; Andrews, L., Visible absorption spectra and two-photon photodissociation of halobenzene cations in solid argon, J. Am. Chem. Soc., 1981, 103, 4, 829, https://doi.org/10.1021/ja00394a016 . [all data]

Anand, Hofstein, et al., 1999
Anand, R.; Hofstein, J.D.; LeClaire, J.E.; Johnson, P.M.; Cossart-Magos, C., Assignment of the B, J. Phys. Chem. A, 1999, 103, 45, 8927, https://doi.org/10.1021/jp992263p . [all data]

Kwon, Kim, et al., 2002
Kwon, C.H.; Kim, H.L.; Kim, M.S., Vibrational spectra of halobenzene cations in the ground and B [sup 2]B[sub 2] electronic states obtained by one-photon mass-analyzed threshold ionization spectrometry, J. Chem. Phys., 2002, 116, 23, 10361, https://doi.org/10.1063/1.1478695 . [all data]

Wright, Panov, et al., 1995
Wright, T.G.; Panov, S.I.; Miller, T.A., Vibrational spectroscopy of the chlorobenzene cation using zero kinetic energy photoelectron spectroscopy, J. Chem. Phys., 1995, 102, 12, 4793, https://doi.org/10.1063/1.469527 . [all data]

Walter, Scherm, et al., 1991
Walter, K.; Scherm, K.; Boesl, U., Spectroscopy of the ionic ground state of monohalogenated benzenes, J. Phys. Chem., 1991, 95, 3, 1188, https://doi.org/10.1021/j100156a029 . [all data]

Asselin, Gouzerh, et al., 1993
Asselin, P.; Gouzerh, A.; Piuzzi, F.; Dimicoli, I., Laser photoelectron spectroscopy of gas phase chlorobenzene-h5 and chlorobenzene-d5, Chem. Phys., 1993, 175, 2-3, 387, https://doi.org/10.1016/0301-0104(93)85167-7 . [all data]

Lembach and Brutschy, 1997
Lembach, G.; Brutschy, B., Mass analyzed threshold ionization of chlorobenzene and chlorobenzene · Ar1, Chem. Phys. Lett., 1997, 273, 5-6, 421, https://doi.org/10.1016/S0009-2614(97)00612-X . [all data]

Anderson, Rider, et al., 1982
Anderson, S.L.; Rider, D.M.; Zare, R.N., Multiphoton ionization photoelectron spectroscopy: a new method for determining vibrational structure of molecular ions, Chem. Phys. Lett., 1982, 93, 1, 11, https://doi.org/10.1016/0009-2614(82)85045-8 . [all data]

Ripoche, Asselin, et al., 1993
Ripoche, X.; Asselin, P.; Piuzzi, F.; Dimicoli, I., Two-color threshold photoionization spectroscopy of chlorobenzene-h5 and chlorobenzene-d5, Chem. Phys., 1993, 175, 2-3, 379, https://doi.org/10.1016/0301-0104(93)85166-6 . [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]


Notes

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