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Interplay between “Neutral” and “Charge‐Transfer” Excimers Rules the Excited State Decay in Adenine‐Rich Polynucleotides
Author(s) -
Improta Roberto,
Barone Vincenzo
Publication year - 2011
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201104382
Subject(s) - delocalized electron , excited state , polynucleotide , charge (physics) , interpretation (philosophy) , exciton , state (computer science) , chemical physics , chemistry , physics , theoretical physics , atomic physics , quantum mechanics , computer science , algorithm , biochemistry , programming language
The excited states of (dA) 4 oligonucleotides (A=adenine), including the phosphoribose backbone, were studied in water at a fully quantum mechanical level, providing an atomistic description of the main decay paths and a comprehensive interpretation of the experimental data (see picture). After absorption to exciton states delocalized over multiple A bases, the behavior of the excited state is ruled by the interplay of a number of species responsible for different spectral features.