Ultrafast Relaxation Dynamics of Uracil Probed via Strong Field Dissociative Ionization
- 20 November 2013
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 117 (48), 12796-12801
- https://doi.org/10.1021/jp408073d
Abstract
We study the ultrafast relaxation dynamics of uracil excited to the first bright ππ* state (S2) by an ultrafast laser pulse in the deep ultraviolet (central wavelength λ0 = 260 nm). With a unique combination of strong field dissociative ionization measurements, state of the art strong field ionization calculations, and high level ab initio calculations of excited neutral and ionic states at critical points along the neutral potentials, we are able to gain a detailed picture of the relaxation dynamics of the molecule, which resolves earlier disagreements regarding measurements and calculations of the relaxation.Keywords
This publication has 45 references indexed in Scilit:
- Comparison of the deactivation mechanism of 5-fluorouracil with that of its parent system, uracil: The need of the use of the MS-CASPT2 methodInternational Journal of Quantum Chemistry, 2011
- Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobasesProceedings of the National Academy of Sciences of the United States of America, 2010
- Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-MethylthymineThe Journal of Physical Chemistry A, 2009
- DNA Excited-State Dynamics: From Single Bases to the Double HelixAnnual Review of Physical Chemistry, 2009
- On the Electronically Excited States of UracilThe Journal of Physical Chemistry A, 2008
- The Decay from the Dark nπ* Excited State in Uracil: An Integrated CASPT2/CASSCF and PCM/TD-DFT Study in the Gas Phase and in WaterThe Journal of Physical Chemistry B, 2008
- Internal conversion to the electronic ground state occurs via two distinct pathways for pyrimidine bases in aqueous solutionProceedings of the National Academy of Sciences of the United States of America, 2007
- Unified Model for the Ultrafast Decay of Pyrimidine NucleobasesThe Journal of Physical Chemistry B, 2006
- Solvent-Dependent Photophysics of 1-Cyclohexyluracil: Ultrafast Branching in the Initial Bright State Leads Nonradiatively to the Electronic Ground State and a Long-Lived 1nπ* StateThe Journal of Physical Chemistry B, 2006
- Three-State Conical Intersections in Nucleic Acid BasesThe Journal of Physical Chemistry A, 2005