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Zero-field splitting of methyl-substituted phosphorescent aromatic molecules in their lowest triplet states |
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| Affiliation: | 1. Lebanese University, Faculty of Sciences II, Research Platform in Nanosciences and Nanotechnology, Laboratory of Experiments and Computation of Materials and Molecules (EC2M), P.O. Box: 90656, Campus Fanar, Lebanon;2. Lille University, CNRS, UMR 8523-PhLAM-Physique des Lasers Atomes et Molécules, F-59000, Lille, France;3. Allianstic Research Laboratory, EFREI Paris, 30/32 Avenue de la république, 94800 Villejuif, France;4. Lebanese University, Faculty of Engineering III, Laboratory of Molecular Quantum Mechanics and Modeling (MQMM), Hadath Campus, Lebanon |
| Abstract: | The effect of methyl substitution on the ZFS of phosphorescent aromatic compounds in their lowest triplet states has been investigated for both homocyclic and heterocyclic molecules. The experimental results of ESR measurements on fifteen molecules are given. The ZFS parameters have been calculated theoretically applying the semiempirical WM method. The experimental and theoretical D and E values are briefly discussed. |
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