Diindeno[1,2,3,4-defg;1′,2′,3′,4′-mnop]chrysenes 2 were straightforwardly prepared in around 20% yield from 9,10- diarylphenanthrenes 3 by palladium-catalyzed intramolecular arylations. The bowl-to-bowl inversion barrier for buckybowl 2-iPr is predicted to be approximately 7 kcal mol-1 based on density functional theory calculations and this value is consistent with the results of a variable-temperature 1H-NMR study.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Surfaces, Coatings and Films
- Metals and Alloys
- Materials Chemistry