| Autor: |
Hande, Aniket A., Baylère, Patrick, Kaszyński, Piotr, Chrostowska, Anna |
| Zdroj: |
The Journal of Physical Chemistry - Part A; November 2020, Vol. 124 Issue: 47 p9777-9782, 6p |
| Abstrakt: |
Fusion of benzene, naphthalene, and phenalene rings with the D ring of the planar Blatter radical leads to extension of the π-system and increased spin delocalization. The effect of this π-extension and the position of the ring fusion on the electronic structure of the radicals was investigated by UV-photoelectron spectroscopy and DFT CAM-B3LYP/6-311G(d,p) method. The experimental data obtained for 3 out of 8 derivatives were correlated with DFT-derived ionization energies. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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