4-Cyanobenzyl radical

• Formula: C₈H₆N
• Molecular weight: 116.1399
• IUPAC Standard InChI: InChI=1S/C8H6N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H2 Copy

  
• IUPAC Standard InChIKey: SMVKJBOGSRFNKW-UHFFFAOYSA-N Copy
• CAS Registry Number: 4939-73-5
• Chemical structure:
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• Information on this page:
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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

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

State:   X

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

Notes

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

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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