Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

4-Fluorobenzyl radical


Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, References, Notes

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 C7H6F+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.9370 ± 0.0080LPESKim, Wenthold, et al., 1999B

Ionization energy determinations

IE (eV) Method Reference Comment
7.8 ± 0.1EIHarrison, Kebarle, et al., 1961RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, NIST Free Links, 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:   A


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

To = 21524.0 ± 0.2 gas A-X 429 475 Bindley, Watts, et al., 1964
Charlton and Thrush, 1986
Cossart-Magos and Cossart, 1988


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

1760 gas LF Charlton and Thrush, 1986
(7a) 1228 gas LF Fukushima and Obi, 1990
(13) 1194 gas LF Charlton and Thrush, 1986
Fukushima and Obi, 1990
(18a) 846 gas LF Fukushima and Obi, 1990
(1) 813 gas LF Charlton and Thrush, 1986
Fukushima and Obi, 1990
(6b) 524 gas LF Fukushima and Obi, 1990
(6a) 411 gas LF Fukushima and Obi, 1990
(9b) 398 gas LF Fukushima and Obi, 1990
(15) 222 gas LF Fukushima and Obi, 1990

State:   X


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

a1 4(8a) C-CH2 stretch 1568 gas EM PE Lee and Baek, 1999
Kim, Wenthold, et al., 1999, 2
(7a) 1262 gas EM Lee and Baek, 1999
(13) 1243 gas EM Lee and Baek, 1999
11(1) 835 gas EM LF Cossart-Magos and Cossart, 1988
Fukushima and Obi, 1990
Lee and Baek, 1999
12 754 gas EM Lee and Baek, 1999
13(6a Ring deform. 453 gas EM LF Bindley, Watts, et al., 1964
Charlton and Thrush, 1986
Cossart-Magos and Cossart, 1988
Fukushima and Obi, 1990
Lee and Baek, 1999
13(6a Ring deform. 453 gas PE Kim, Wenthold, et al., 1999, 2
b2 (6b) 632 T gas EM Lee and Baek, 1999
(9b) 420 T gas EM Lee and Baek, 1999
(15) 323 T gas EM Lee and Baek, 1999

Additional references: Jacox, 1998, page 370; Jacox, 2003, page 402; Baek and Lee, 1998

Notes

TTentative assignment or approximate value
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, NIST Free Links, 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]

Bindley, Watts, et al., 1964
Bindley, T.F.; Watts, A.T.; Walker, S., Electronic emission spectra of radicals from fluorotoluenes, Trans. Faraday Soc., 1964, 60, 1, https://doi.org/10.1039/tf9646000001 . [all data]

Charlton and Thrush, 1986
Charlton, T.R.; Thrush, B.A., The study of substituted benzyl radicals by laser-induced fluorescence, Chem. Phys. Lett., 1986, 125, 5-6, 547, https://doi.org/10.1016/0009-2614(86)87096-8 . [all data]

Cossart-Magos and Cossart, 1988
Cossart-Magos, C.; Cossart, D., Rotational band contours of the first electronic transition origin bands of p-xylyl and p-fluorobenzyl, Mol. Phys., 1988, 65, 3, 627, https://doi.org/10.1080/00268978800101291 . [all data]

Fukushima and Obi, 1990
Fukushima, M.; Obi, K., Jet spectroscopy and excited state dynamics of benzyl and substituted benzyl radicals, J. Chem. Phys., 1990, 93, 12, 8488, https://doi.org/10.1063/1.459710 . [all data]

Lee and Baek, 1999
Lee, S.K.; Baek, D.Y., Vibronic analysis of the jet-cooled emission spectrum of p-fluorobenzyl radical in the D1-->D0 transition, Chem. Phys. Lett., 1999, 301, 3-4, 407, https://doi.org/10.1016/S0009-2614(98)01436-5 . [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]

Baek and Lee, 1998
Baek, D.Y.; Lee, S.K., Bull. Korean Chem. Soc., 1998, 19, 1359. [all data]


Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References