The IR spectrum of a charge transfer (CT) excited electronic state in DNA has been computed for the first time, enabling assignment of the long-lived component of the transient IR spectrum of a d(AT)(9) single strand to an A -> T CT state. Experimentally, the CT state lifetime is much shorter than in the double strand, and our calculations explain this result using Marcus Theory.

Photoinduced long-lived charge transfer excited states in AT-DNA strands

Improta Roberto
2016

Abstract

The IR spectrum of a charge transfer (CT) excited electronic state in DNA has been computed for the first time, enabling assignment of the long-lived component of the transient IR spectrum of a d(AT)(9) single strand to an A -> T CT state. Experimentally, the CT state lifetime is much shorter than in the double strand, and our calculations explain this result using Marcus Theory.
2016
DNA
qm CALCULATIONS
IR
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/421895
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