Isomerization of the cubane radical cation to the bridged 1,4-bishomobenzene (bicyclo(3. 3. 0)octa-2,6-diene-4,8-diyl) radical cation

Journal Article · Wed May 23 00:00:00 EDT 1990 · Journal of the American Chemical Society; (USA)

DOI:https://doi.org/10.1021/ja00167a076· OSTI ID:6619842

Qin, X Z; Trifunac, A D ^[1]; Eaton, P E; Xiong, Y ^[2]

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1. Argonne National Laboratory, IL (USA)
2. Univ. of Chicago, IL (USA)

The electronic structure and the interconversion of the radical cations of the (CH){sub 8} group have recently attracted attention. Among the (CH){sub 8} hydrocarbons, cubane has high symmetry (O{sub h}) and the highest strain energy. Its physicochemical properties continue to attract experimental and theoretical interest. The cubane radical cation (1) was first studied in neon matrices at 4 K. Here we report isomerization of 1 to the bridged 1,4-bishomobenzene radical cation (2), which was first demonstrated to be formed by the ring-opening of the semibullvalence radical cation. We show here that radiolytic oxidation of cuneane also yields 2.

• OSTI ID: 6619842
• Journal Information: Journal of the American Chemical Society; (USA), Vol. 112:11; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CATIONS
ISOMERIZATION
DATA ANALYSIS
EXPERIMENTAL DATA
MEASURING INSTRUMENTS
MEASURING METHODS
ORGANIC COMPOUNDS
RADICALS
CHARGED PARTICLES
CHEMICAL REACTIONS
DATA
INFORMATION
IONS
NUMERICAL DATA
400201* - Chemical & Physicochemical Properties