Triafulvalene

Triafulvalene or cyclopropenylidenecyclopropene is a fulvalene hydrocarbon with chemical formula C6H4, composed of two linked cyclopropene rings. Triafulvalene has never been isolated,[1] since it can decompose via an isodesmic reaction.[2] However, this molecule is of theoretical significance for theoretical organic chemists,[3] and its structure, stability, and spectral properties are well-studied.

Triafulvalene
Names
Preferred IUPAC name
[1,1′-Bi(cyclopropylidene)]-2,2′-diene
Other names
1,1′-Bi(cycloprop-2-en-1-ylidene)
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/C6H4/c1-2-5(1)6-3-4-6/h1-4H
    Key: MRCIUZQRSIHAMG-UHFFFAOYSA-N
  • C=1C(C=1)=C2C=C2
Properties
C6H4
Molar mass 76.098 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

See also

References
  1. Carey, Francis A.; Richard J. Sundberg (2007). Advanced Organic Chemistry: Part A: Structure and Mechanisms. Springer Science & Business Media. pp. 755–787. ISBN 978-0-387448-99-2.
  2. Neuenschwander, Markus (1986), "Synthetic and NMR spectroscopic investigations of fulvenes and fulvalenes" (PDF), Pure Appl. Chem., 58 (1): 55–66, doi:10.1351/pac198658010055, S2CID 55312999
  3. Scott, Anthony P.; Agranat, Israel; Biedermann, P. Ulrich; Riggs, Noel V.; Radom, Leo (1997). "Fulvalenes, Fulvenes, and Related Molecules: An ab Initio Study". The Journal of Organic Chemistry. 62 (7): 2026–2038. doi:10.1021/jo962407l. ISSN 0022-3263. PMID 11671506.
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