peri-Benzo-Diindenotetracenyl: Helically π-Extended Allyl Radical with Robust Stability.
Chemistry
; 30(43): e202401353, 2024 Aug 01.
Article
em En
| MEDLINE
| ID: mdl-38818544
ABSTRACT
Here is described the synthesis and characterization of a stable hydrocarbon radical, peri-benzo-diindenotetracenyl, with a helical structure. Although the helical π-radical has no peripheral substituents, it was stable in the solid and solutions. According to the X-ray diffraction analysis and quantum chemical calculations, the radical was best described as an allyl radical fused by five Clar's sextets. The optically resolved enantiomers exhibited mirror image CD spectra with |gCD| of 2.4×10-4 at 522â
nm. The racemization barrier was determined to be 95.9â
kJ/mol at 298â
K, which is compatible with that of [5]helicene (108â
kJ/mol).
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article