Cycloheptatrienyl radical

• Formula: C₇H₇
• Molecular weight: 91.1305
• IUPAC Standard InChI: InChI=1S/C7H7/c1-2-4-6-7-5-3-1/h1-7H Copy

  
• IUPAC Standard InChIKey: WIQYRPSOJMHAHR-UHFFFAOYSA-N Copy
• CAS Registry Number: 3551-27-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Vibrational and/or electronic energy levels
• Options:
  • Switch to calorie-based units

Gas phase ion energetics data

Go To: Top, References, Notes

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C₇H₇⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

References

Go To: Top, Gas phase ion energetics data, 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]

Gunion, Karney, et al., 1996
Gunion, R.F.; Karney, W.; Wenthold, P.G.; Borden, W.T.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of Some C7H7- Isomers: Quadricyclanide, Norbornadienide, Cycloheptatrienide, and 1,6-Heptadiynide, J. Am. Chem. Soc., 1996, 118, 21, 5074, https://doi.org/10.1021/ja954026f . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Koenig and Chang, 1978
Koenig, T.; Chang, J.C., Helium(I) photoelectron spectrum of tropyl radical, J. Am. Chem. Soc., 1978, 100, 2240. [all data]

Hvistendahl, Undheim, et al., 1973
Hvistendahl, G.; Undheim, K.; Gyorosi, P., Mass spectrometry of tropylium halides, Org. Mass Spectrom., 1973, 7, 903. [all data]

Elder and Parr, 1969
Elder, F.A.; Parr, A.C., Photoionization of the cycloheptatrienyl radical, J. Chem. Phys., 1969, 50, 1027. [all data]

Thrush and Zwolenik, 1963
Thrush, B.A.; Zwolenik, J.J., Spectrum of the tropyl radical, Faraday Discuss. Chem. Soc., 1963, 35, 196. [all data]

Harrison, Honnen, et al., 1960
Harrison, A.G.; Honnen, L.R.; Dauben, H.J., Jr.; Lossing, F.P., Free radicals by mass spectrometry. XX. Ionization potentials of cyclopentadienyl and cycloheptatrienyl radicals, J. Am. Chem. Soc., 1960, 82, 5593. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  EA	Electron affinity

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.