ملخص
We present a joint experimental and theoretical investigation of the electronic excitations in transition metal-containing phenylene ethynylenes. The influence of the metal on the nature of the lowest singlet and triplet excited states is characterized. We find that π conjugation occurs through the metal sites, which deeply modifies the optical properties of the conjugated chains. We also analyze the chain-length dependence of the singlet-singlet, S0 → S1? singlet-triplet, S0 → T1t and triplet-triplet, T1 → Tn, transition energies; both experimental data and theoretical results indicate that the lowest triplet exciton, T1, is strongly localized on a single phenylene ring while the S1 and Tn states extend over a few repeating units. Finally, we estimate the geometric relaxation phenomena occurring in the lowest excited states and perform a Huang-Rhys analysis of the triplet emission spectrum in model systems.
اللغة الأصلية | English |
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الصفحات (من إلى) | 3868-3877 |
عدد الصفحات | 10 |
دورية | Journal of Chemical Physics |
مستوى الصوت | 105 |
رقم الإصدار | 9 |
المعرِّفات الرقمية للأشياء | |
حالة النشر | Published - 1996 |
ASJC Scopus subject areas
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