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3-Fluorobenzyl 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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)

Quantity Value Units Method Reference Comment
Proton affinity (review)836.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity804.kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.1730 ± 0.0080LPESKim, Wenthold, et al., 1999B

Ionization energy determinations

IE (eV) Method Reference Comment
8.18 ± 0.06EIHarrison, 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:   A


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

To = 21691 gas A-X 445 498 Bindley, Watts, et al., 1964
Charlton and Thrush, 1986
Lee and Ahn, 2000


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

734 gas LF Charlton and Thrush, 1986
466 gas LF Charlton and Thrush, 1986

State:   X


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

a' 7(19b C-CH2 stretch 1599 gas PE EM Kim, Wenthold, et al., 1999, 2
Lee and Ahn, 2000
9(8b) 1567 gas EM Lee and Ahn, 2000
10(8a 1557 gas EM Lee and Ahn, 2000
11(19 1428 gas EM Lee and Ahn, 2000
14(14 1288 gas EM Lee and Ahn, 2000
16(9b 1142 gas EM Lee and Ahn, 2000
19(12 998 gas EM Lee and Ahn, 2000
20(7b 930 gas EM Lee and Ahn, 2000
21(1) 741 gas LF EM Charlton and Thrush, 1986
Kim, Wenthold, et al., 1999, 2
Lee and Ahn, 2000
22(6a 530 gas EM Lee and Ahn, 2000
23(6b Ring deform. 506 gas EM PE Bindley, Watts, et al., 1964
Charlton and Thrush, 1986
Kim, Wenthold, et al., 1999, 2
Lee and Ahn, 2000
24(15 453 gas EM Lee and Ahn, 2000

Additional references: Jacox, 1998, page 369; Jacox, 2003, page 402

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, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

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]

Lee and Ahn, 2000
Lee, S.K.; Ahn, B.U., Vibronic emission spectrum of the jet cooled m-fluorobenzyl radical in the D1-->D0 transition, Chem. Phys. Lett., 2000, 321, 1-2, 25, https://doi.org/10.1016/S0009-2614(00)00325-0 . [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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