C6H5Cl+
- Formula: C6H5Cl+
- Molecular weight: 112.556
- CAS Registry Number: 55450-32-3
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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: K
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 50700 ± 100 | gas | Potts, Edvardsson, et al., 2000 | |||||
State: H
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 45460 ± 800 | gas | Potts, Edvardsson, et al., 2000 | |||||
State: G
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 42150 ± 100 | gas | Potts, Edvardsson, et al., 2000 | |||||
State: F
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Tx = 30930 ± 800 | gas | Potts, Lyus, et al., 1980 | |||||
Potts, Edvardsson, et al., 2000 | |||||||
State: D
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | λmin (nm) |
λmax (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 | |||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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
Additional references: Jacox, 1994, page 428; Jacox, 1998, page 368; Jacox, 2003, page 397
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
d | Photodissociation 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
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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