| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381801 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
- Sumanene derivatives were investigated using DFT and TD-DFT.
- Derivatives were obtained by substitution of benzylic positions with boron and nitrogen atoms.
- Optical and bowl to bowl inversion barrier properties of obtained derivatives were investigated.
- UV/Vis spectra of investigated derivatives indicate that some might absorb light in visible area.
- Bowl to bowl inversion barrier changed significantly in all cases.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Stevan ArmakoviÄ, Sanja J. ArmakoviÄ, Jovan P. Å etrajÄiÄ, Igor J. Å etrajÄiÄ,