Hexatriynyl radical

Hexatriynyl radical
Names
Preferred IUPAC name
Hexa-1,3,5-triyn-1-yl
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/C6H/c1-3-5-6-4-2/h1H checkY
    Key: MGBKUZLTRVWILP-UHFFFAOYSA-N checkY
  • InChI=1S/C6H/c1-3-5-6-4-2/h1H
    Key: MGBKUZLTRVWILP-UHFFFAOYSA-N
  • InChI=1/C6H/c1-3-5-6-4-2/h1H
    Key: MGBKUZLTRVWILP-UHFFFAOYAP
  • C#CC#CC#[C]
Properties
C6H
Molar mass 73.074 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)

The hexatriynyl radical, C6H, is an organic radical molecule consisting of a linear chain of six carbon atoms terminated by a hydrogen (H−C≡C−C≡C−C≡C•). The unpaired electron is located at the opposite end to the hydrogen atom, as indicated. Both experimental work and computer simulations on this species was done in the early 1990s.[1][2]

  1. ^ Doyle, T.J.; L.N. Shen; C.M.L. Rittby; W.R.M. Graham (November 1, 1991). "A C≡C stretching vibration of the C6H (hexatriynyl) radical in Ar at 10 K". Journal of Chemical Physics. 95 (9): 6224–6228. Bibcode:1991JChPh..95.6224D. doi:10.1063/1.461568.
  2. ^ Liu, R.; X. Zhou; P. Pulay (July 15, 1992). "Ab initio study of the geometry, stretching, vibrations, and assignment of the observed frequencies of the ground state C6H (hexatriynyl) radical". Journal of Chemical Physics. 97 (2): 1602–1605. Bibcode:1992JChPh..97.1602L. doi:10.1063/1.463236.