Excited States of Ladder-type Poly-p-phenylene Oligomers
نویسندگان
چکیده
Ground state properties and excited states of ladder-type paraphenylene oligomers are calculated applying semiempirical methods for up to eleven phenylene rings. The results are in qualitative agreement with experimental data. A new scheme to interpret the excited states is developed which reveals the excitonic nature of the excited states. The electron-hole pair of the S1-state has a mean distance of approximately 4 Å.
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تاریخ انتشار 2000