Triafulvalene

Triafulvalene
Names
	Preferred IUPAC name [1,1′-Bi(cyclopropylidene)]-2,2′-diene
	Other names 1,1′-Bi(cycloprop-2-en-1-ylidene)
Identifiers
CAS Number	1608-08-8 ;
3D model (JSmol)	Interactive image;
ChemSpider	35807295;
PubChem CID	86179345;
CompTox Dashboard (EPA)	DTXSID201032864 ;
	InChI InChI=1S/C6H4/c1-2-5(1)6-3-4-6/h1-4H Key: MRCIUZQRSIHAMG-UHFFFAOYSA-N;
	SMILES C=1C(C=1)=C2C=C2;
Properties
Chemical formula	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

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, its structure,^[3] stability, and spectral properties are well-studied theoretically;^{[citation needed]} the molecule is believed planar.^[3]

References

^ 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.
^ 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
^ ^a ^b 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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[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

[Structure-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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[2]

[3]

See also

References