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4-Chlorobenzyl radical


Gas phase ion energetics data

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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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C7H6Cl+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.1740 ± 0.0080LPESKim, Wenthold, et al., 1999B

Ionization energy determinations

IE (eV) Method Reference Comment
8.0 ± 0.1EIHarrison, Kebarle, et al., 1961RDSH

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:   B


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

To = 21733.8 ± 0.5 gas A,B-X 436 515 Fukushima and Obi, 1996
Lee and Baek, 1999


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

1194 gas LF Fukushima and Obi, 1996
1076 gas LF Fukushima and Obi, 1996
960 gas LF Fukushima and Obi, 1996
779 gas LF Fukushima and Obi, 1996
340 gas LF Fukushima and Obi, 1996
242 gas LF Fukushima and Obi, 1996
b2 (6b) 623 gas LF Fukushima and Obi, 1996
122 gas LF Fukushima and Obi, 1996

State:   A


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

To = 21638.7 ± 0.5 gas A,B-X 436 515 Fukushima and Obi, 1996
Lee and Baek, 1999


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

a1 (12) 726 gas LF Fukushima and Obi, 1996

State:   X


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

a1 4(8a) 1544 gas EM PE Fukushima, Saito, et al., 1996
Lee and Baek, 1999
Kim, Wenthold, et al., 1999, 2
(1) 1079 gas LF EM Fukushima, Saito, et al., 1996
Lee and Baek, 1999
(6a) 811 gas LF EM Fukushima, Saito, et al., 1996
Lee and Baek, 1999
(12) 638 gas LF EM Fukushima and Obi, 1996
Lee and Baek, 1999
559 gas LF Fukushima, Saito, et al., 1996
(7a) 380 gas EM PE Lee and Baek, 1999
Kim, Wenthold, et al., 1999, 2
b2 (8b) 1529 gas EM Lee and Baek, 1999
(3) 1306 gas EM Lee and Baek, 1999
(15) 257 gas EM Lee and Baek, 1999
209 gas LF Fukushima and Obi, 1996

Additional references: Jacox, 1998, page 370; Jacox, 2003, page 403

Notes

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.

Kim, Wenthold, et al., 1999
Kim, J.B.; Wenthold, P.G.; Lineberger, W.C., Ultraviolet photoelectron spectroscopy of o-, m-, and p-halobenzyl anions, J. Phys. Chem. A, 1999, 103, 50, 10833-10841, https://doi.org/10.1021/jp992817o . [all data]

Harrison, Kebarle, et al., 1961
Harrison, A.G.; Kebarle, P.; Lossing, F.P., Free radicals by mass spectrometry. XXI. The ionization potentials of some meta and para substituted benzyl radicals, J. Am. Chem. Soc., 1961, 83, 777. [all data]

Fukushima and Obi, 1996
Fukushima, M.; Obi, K., Laser-induced fluorescence spectra of jet cooled p-chlorobenzyl radical, Chem. Phys. Lett., 1996, 248, 3-4, 269, https://doi.org/10.1016/0009-2614(95)01333-4 . [all data]

Lee and Baek, 1999
Lee, S.K.; Baek, D.Y., D1-->D0 and D2-->D0 transitions of the jet-cooled p-chlorobenzyl radical, Chem. Phys. Lett., 1999, 304, 1-2, 39, https://doi.org/10.1016/S0009-2614(99)00294-8 . [all data]

Fukushima, Saito, et al., 1996
Fukushima, M.; Saito, K.; Obi, K., Jet Spectroscopy of theD122B1--D012B1Transition of thep-Cyanobenzyl Radical, J. Mol. Spectrosc., 1996, 180, 2, 389, https://doi.org/10.1006/jmsp.1996.0262 . [all data]

Kim, Wenthold, et al., 1999, 2
Kim, J.B.; Wenthold, P.G.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of, J. Phys. Chem. A, 1999, 103, 50, 10833, https://doi.org/10.1021/jp992817o . [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

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