A new class of open-shell polymethine monoradicals, possessing nonbonding molecular orbitals (NBMO) and very low excitation energies, was investigated theoretically. The radicals are derivatives of the stable 2-azaphenalenyl radical. Since in the ground state the NBMO is strictly localized within a molecular fragment, the electron transitions are connected with a substantial charge-transfer.
|Number of pages||9|
|Journal||International Journal of Quantum Chemistry|
|Publication status||Published - May 2007|
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry