Electron-driven proton transfer relieves excited-state antiaromaticity in photoexcited DNA base pairs
Lucas J. Karas, Chia‐Hua Wu, Henrik Ottosson, Judy I. Wu
Abstract
ππ* state, and transferring an electron and a proton to the pyrimidine relieves this excited-state antiaromaticity. Even though proton transfer proceeds along the coordinate of breaking a N-H σ-bond, the chromophore is the π-system of the base, and EDPT is driven by the strive to alleviate antiaromaticity in the π-system of the photoexcited base. The presence and absence of alternative excited-state EDPT routes in base pairs also can be explained by sudden changes in their aromatic and antiaromatic character upon photoexcitation.
Topics & Concepts
AntiaromaticityExcited stateBase (topology)ProtonElectron transferBase pairElectronChemistryState (computer science)DNAPhysicsAtomic physicsPhotochemistryComputer scienceMoleculeQuantum mechanicsMathematicsMathematical analysisAromaticityAlgorithmBiochemistryDNA and Nucleic Acid ChemistryPhotochemistry and Electron Transfer StudiesSynthesis and Properties of Aromatic Compounds