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Cyanocyclopentadienyl 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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.05 ± 0.02LSIm and Bernstein, 1991LL
9.44EIPottie and Lossing, 1963RDSH

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 = 27139.45 ± 0.02 gas B-X 350 405 Porter and Ward, 1968
Lehman and Berry, 1973
Hancock and McKendrich, 1987
Ozawa, Ishida, et al., 1988
Cullin, Yu, et al., 1990
Ishida, Abe, et al., 1990
Im and Bernstein, 1991
Cullin, Yu, et al., 1992

State:   A


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

a1 CN stretch 2056 gas LF Ishida, Abe, et al., 1990

Additional references: Jacox, 1994, page 413

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.

Im and Bernstein, 1991
Im, H.S.; Bernstein, E.R., Mass resolved excitation spectroscopy of radicals: benzyl and phenylnitrene, J. Chem. Phys., 1991, 95, 6326. [all data]

Pottie and Lossing, 1963
Pottie, R.F.; Lossing, F.P., Free radicals by mass spectrometry. XXIX. Ionization potentials of substituted cyclopentadienyl radicals, J. Am. Chem. Soc., 1963, 85, 269. [all data]

Porter and Ward, 1968
Porter, G.; Ward, B., The Photolytic Preparation of Cyclopentadienyl and Phenyl Nitrene from Benzene Derivatives, Proc. Roy. Soc. (London) A303, 1968, 303, 1473, 139, https://doi.org/10.1098/rspa.1968.0044 . [all data]

Lehman and Berry, 1973
Lehman, P.A.; Berry, R.S., Flash photolytic decomposition of aryl azides. Measurement of an intramolecular closure rate, J. Am. Chem. Soc., 1973, 95, 26, 8614, https://doi.org/10.1021/ja00807a019 . [all data]

Hancock and McKendrich, 1987
Hancock, G.; McKendrich, K.B., J. Chem. Soc., 1987, Faraday Trans. 2 83, 2011. [all data]

Ozawa, Ishida, et al., 1988
Ozawa, K.; Ishida, T.; Fuke, K.; Kaya, K., Electronic spectrum of jet-cooled phenyl nitrene, Chem. Phys. Lett., 1988, 150, 3-4, 249, https://doi.org/10.1016/0009-2614(88)80036-8 . [all data]

Cullin, Yu, et al., 1990
Cullin, D.W.; Yu, L.; Williamson, J.M.; Platz, M.S.; Miller, T.A., Reinvestigation of the electronic spectrum of the phenylnitrene radical, J. Phys. Chem., 1990, 94, 9, 3387, https://doi.org/10.1021/j100372a010 . [all data]

Ishida, Abe, et al., 1990
Ishida, T.; Abe, H.; Nakajima, A.; Kaya, K., Electronic spectrum of jet-cooled cyanocyclopentadienyl radical, Chem. Phys. Lett., 1990, 170, 5-6, 425, https://doi.org/10.1016/S0009-2614(90)87078-6 . [all data]

Cullin, Yu, et al., 1992
Cullin, D.W.; Yu, L.; Williamson, J.M.; Miller, T.A., High-resolution spectroscopy of jet-cooled substituted cyclopentadienyl radicals, J. Phys. Chem., 1992, 96, 1, 89, https://doi.org/10.1021/j100180a020 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]


Notes

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