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4-Cyanobenzyl 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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C8H6N+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
8.4 ± 0.1EIHarrison, Kebarle, et al., 1961

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, 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 = 20743.9 gas A-X 445 580 Fukushima, Saito, et al., 1996
Lee and Ahn, 2000


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

b2 (6b) 516 gas LF Fukushima, Saito, et al., 1996

State:   X


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

a1 (20a) CH stretch 3133 gas EM Lee and Ahn, 2000
CN stretch 2225 gas LF EM Fukushima, Saito, et al., 1996
Lee and Ahn, 2000
(8a) 1563 gas LF EM Fukushima, Saito, et al., 1996
Lee and Ahn, 2000
(7a) 1210 gas EM Lee and Ahn, 2000
(9a) 1149 gas LF EM Fukushima, Saito, et al., 1996
Lee and Ahn, 2000
(1) 825 gas LF EM Fukushima, Saito, et al., 1996
Lee and Ahn, 2000
513 gas LF Fukushima, Saito, et al., 1996
(6a) 407 gas EM Lee and Ahn, 2000
a2 (17a) 951 gas EM Lee and Ahn, 2000
b1 (16b) 427 gas EM Lee and Ahn, 2000
b2 (8b) 1521 gas EM Lee and Ahn, 2000
(6b) 642 gas LF EM Fukushima, Saito, et al., 1996
Lee and Ahn, 2000
(9b) 355 gas LF EM Fukushima, Saito, et al., 1996

Additional references: Jacox, 1998, page 370; Jacox, 2003, page 405

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.

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, 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]

Lee and Ahn, 2000
Lee, S.K.; Ahn, B.U., Vibronic spectroscopy of jet-cooled p-cyanobenzyl radical: D1-->D0 spectra and vibrational mode assignments, Chem. Phys. Lett., 2000, 320, 5-6, 601, https://doi.org/10.1016/S0009-2614(00)00263-3 . [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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References