Electronic structure of the lowest excited triplet state of 5,12-naphthacenequinone |
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Authors: | Shimokage Takuji Ikoma Tadaaki Akiyama Kimio Tero-Kubota Shozo |
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Institution: | Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan. |
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Abstract: | Continuous-wave time-resolved EPR (cw-TREPR) and pulsed electron nuclear double resonance (ENDOR) studies have been carried out to clarify the electronic structure of the lowest excited triplet (Tl) state of 5,12-naphthacenequinone (5,12-NpQ) as well as 1,4-anthraquinone (1,4-AQ) and 6,13-pentacenequinone (6,13-PeQ). The Tl energy level and the D value of the zero-field splitting (ZFS) parameters only slightly decreased with the increasing pi-conjugated system. The Tl states of these linear para-acenequinones were assigned to the pi pi* character. In triplet 5,12-naphthacenequinone, more than 80% of the unpaired electron spins are localized on the naphthalene aromatic sub-system. |
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