Excited state relaxation dynamics and electronic properties of a quinoid carotenoid

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• 作者：Evgeny E. Ostroumov ; Marc G. Mü ; ller ; Claas Hundsdö ; rfer ; Wilhelm Stahl ; Christel M. Marian ; Alfred R. Holzwarth
• 关键词：Carotenoid ; Femtosecond transient absorption ; Quantum chemical calculation ; Charge-transfer state
• 刊名：Chemical Physics
• 出版年：2010
• 出版时间：19 July 2010
• 年：2010
• 卷：373
• 期：1-2
• 页码：137-144
• 全文大小：1499 K

文摘

A combined study of the quinoid carotenoid DHIRQ by femtosecond transient absorption spectroscopy and quantum chemical calculations revealed its very complex electronic structure and ultrafast relaxation dynamics. The two quinoid end rings are found to cause a strong bathochromic shift of the absorption spectrum and to decrease the main relaxation time of the S₁ state to 400 fs. Transient absorption data of DHIRQ show a substantial difference of its spectroscopic features to other carbonyl carotenoids. Various alternative kinetic models including an intramolecular charge transfer (ICT) state are discussed in order to assign the electronic structure and the relaxation dynamics.