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- Title
The role of pyrimidine nucleobase excimers in DNA photophysics and photoreactivity.
- Authors
González-Ramírez, Israel; Climent, Teresa; Serrano-Pérez, Juan José; González-Luque, Remedios; Merchán, Manuela; Serrano-Andrés, Luis
- Abstract
Quantum chemical studies using the accurate CASPT2//CASSCF procedure show that p-stacked interactions in biochromophores such as pyrimidine (Pyr) DNA/RNA nucleo-bases pairs yield excimer-like situations which behave as precursors of processes like charge transfer (CT) or photoreactivity and are the source of the emissive properties in DNA. Examples are the CT between adjacent DNA nucleobases in a strand of oligonucleotides and the photodimerization taking place in cytosine (C) pairs leading to cyclobutanecytosine (CBC) mutants. These processes take place through nonadiabatic photochemical mechanisms whose evolution is determined by the presence and accessibility of conical inter-sections (CIs) and other surface crossings between different electronic states.
- Subjects
PYRIMIDINE nucleotides; OLIGONUCLEOTIDES; CHARGE transfer; ELECTRONIC systems; ION exchange (Chemistry)
- Publication
Pure & Applied Chemistry, 2009, Vol 81, Issue 9, p1695
- ISSN
0033-4545
- Publication type
Article
- DOI
10.1351/PAC-CON-08-08-31