1,2-Cyclobutanedione

• Formula: C₄H₄O₂
• Molecular weight: 84.0734
• IUPAC Standard InChI: InChI=1S/C4H4O2/c5-3-1-2-4(3)6/h1-2H2 Copy

  
• IUPAC Standard InChIKey: QDMRCCGQLCIMLG-UHFFFAOYSA-N Copy
• CAS Registry Number: 33689-28-0
• 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:
  • Phase change data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to SI 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 compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

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.

Gleiter, Schang, et al., 1985
Gleiter, R.; Schang, P.; Bloch, M.; Heilbronner, E.; Bunzli, J.-C.; Frost, D.C.; Weiler, L., The He(Iα) PE spectra and electronic absorption spectra of hexafluorocyclobutanone and of tetrafluoro-1,2-cyclobutanedione, Chem. Ber., 1985, 118, 2127. [all data]

Schang, Gleiter, et al., 1978
Schang, P.; Gleiter, R.; Rieker, A., The He(I) photoelectron spectrum of cyclobutene-1,2-dione and o-benzoquinone, Ber. Bunsen-Ges. Phys. Chem., 1978, 82, 629. [all data]

Gleiter, Schang, et al., 1978
Gleiter, R.; Schang, P.; Seitz, G., Photoelectron spectra of cyclobutene-1,2-dione derivatives, Chem. Phys. Lett., 1978, 55, 144. [all data]

Notes

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

• 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.