Abstract
On the basis of our quantum mechanical calculation, we propose that homogeneous single-stranded adenine bases (Ade-DNA) form helical H aggregates, and the photoexcited states can be described as Frenkel excitons. The calculated excitonic coupling between adjacent transition dipoles is in good agreement with the measured absorption spectrum of 20-base homogeneous adenine stacks that exhibits a blue shift of 2.6 nm relative to that of the monomeric species.
| Original language | English |
|---|---|
| Pages (from-to) | 11812-11816 |
| Number of pages | 5 |
| Journal | Journal of Physical Chemistry B |
| Volume | 111 |
| Issue number | 40 |
| DOIs | |
| Publication status | Published - 11 Oct 2007 |
| Externally published | Yes |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry