Propalene

Propalene
Names
Preferred IUPAC name
Bicyclo[1.1.0]buta-1,3-diene
Other names
Propalene, Bicyclobutadiene
Identifiers
CAS Number
  • 13969-14-7 checkY
3D model (JSmol)
  • Interactive image
ChemSpider
  • 35806075
PubChem CID
  • 20577920
CompTox Dashboard (EPA)
  • DTXSID90608913 Edit this at Wikidata
InChI
  • InChI=1S/C4H2/c1-3-2-4(1)3/h1-2H
    Key: QYGHRDRLUMAIGS-UHFFFAOYSA-N
  • C1=C2C1=C2
Properties
Chemical formula
 C4H2
Molar mass 50.060 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N (what is checkY☒N ?)
Infobox references
Chemical compound

Propalene or bicyclo[1.1.0]buta-1,3-diene is a polycyclic hydrocarbon composed of two fused cyclopropene rings.[1][2] Computational studies indicate that the molecule is planar, with the carbon framework forming a parallelogram that has distinctly alternating short and long carbon–carbon bonds.[3]

See also

References

  1. ^ Toyota, Azumao; Nakajima, Takeshi (1979). "The nonsinglet instabilities of the hartree-fock solutions for nonalternant hydrocarbons". Theoretica Chimica Acta. 53 (4): 297–308. doi:10.1007/BF00555689.
  2. ^ D. P. Craig (1951). "cycloButadiene and some other pseudoaromatic compounds". J. Chem. Soc.: 3175–3182. doi:10.1039/JR9510003175.
  3. ^ Koseki, Shiro; Toyota, Azumao; Muramatsu, Takasi; Asada, Toshio; Matsunaga, Nikita (2016). "Numerical Estimation of the Pseudo-Jahn–Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated Molecules". Journal of Physical Chemistry A. 120 (51): 10207–10215. Bibcode:2016JPCA..12010207K. doi:10.1021/acs.jpca.6b09632.


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